----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 12:01:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3 (173) Number of symmetry operations in supercell: 6 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.371162560020085 0.000000000000000 0.000000000000000 b -4.685581280010043 8.115664839971007 0.000000000000000 c 0.000000000000000 0.000000000000000 13.690615520000000 Atomic positions (fractional): *1 Na 0.31741156847596 0.33173501555397 0.39372852488402 22.990 2 Na 0.68258843152404 0.66826498444603 0.89372852488402 22.990 *3 Na 0.00000000000000 0.00000000000000 0.48191621821113 22.990 *4 Na 0.98366733868926 0.31531509072868 0.57131095944208 22.990 5 Na 0.01432344707801 0.68258843152404 0.39372852488402 22.990 6 Na 0.66826498444603 0.98567655292199 0.39372852488402 22.990 7 Na 0.68468490927132 0.66835224796058 0.57131095944208 22.990 *8 Na 0.33333333333333 0.66666666666667 0.23118108589746 22.990 9 Na 0.98567655292199 0.31741156847596 0.89372852488402 22.990 10 Na 0.66835224796058 0.98366733868926 0.07131095944208 22.990 11 Na 0.33164775203942 0.01633266131074 0.57131095944208 22.990 12 Na 0.33173501555397 0.01432344707801 0.89372852488402 22.990 13 Na 0.01633266131074 0.68468490927132 0.07131095944208 22.990 14 Na 0.00000000000000 0.00000000000000 0.98191621821113 22.990 15 Na 0.66666666666667 0.33333333333333 0.73118108589746 22.990 *16 Na 0.33333333333333 0.66666666666667 0.70557991594554 22.990 17 Na 0.31531509072868 0.33164775203942 0.07131095944208 22.990 18 Na 0.66666666666667 0.33333333333333 0.20557991594554 22.990 *19 Tm 0.33333333333333 0.66666666666667 0.46141905102999 168.934 *20 Tm 0.00000000000000 0.00000000000000 0.23224059795695 168.934 21 Tm 0.00000000000000 0.00000000000000 0.73224059795695 168.934 *22 Tm 0.33333333333333 0.66666666666667 0.99988467656394 168.934 23 Tm 0.66666666666667 0.33333333333333 0.96141905102999 168.934 24 Tm 0.66666666666667 0.33333333333333 0.49988467656394 168.934 *25 Si 0.34641228270677 0.01859550523730 0.34231163356625 28.085 *26 Si 0.67173797307112 0.65309841455080 0.12310769793406 28.085 27 Si 0.01863955852032 0.67173797307112 0.62310769793406 28.085 28 Si 0.32781677746947 0.34641228270677 0.84231163356625 28.085 29 Si 0.98136044147968 0.32826202692888 0.12310769793406 28.085 30 Si 0.65309841455080 0.98136044147968 0.62310769793406 28.085 31 Si 0.98140449476270 0.32781677746947 0.34231163356625 28.085 32 Si 0.65358771729323 0.98140449476270 0.84231163356625 28.085 33 Si 0.34690158544920 0.01863955852032 0.12310769793406 28.085 34 Si 0.01859550523730 0.67218322253053 0.84231163356625 28.085 35 Si 0.32826202692888 0.34690158544920 0.62310769793406 28.085 36 Si 0.67218322253053 0.65358771729323 0.34231163356625 28.085 *37 O 0.19529325732258 0.15007690369108 0.62277878560860 15.999 *38 O 0.72837317607974 0.55399469359376 0.04829780173003 15.999 39 O 0.82562151751402 0.27162682392026 0.04829780173003 15.999 40 O 0.17437848248598 0.72837317607974 0.54829780173003 15.999 *41 O 0.57687125050064 0.89825481887255 0.73287683683915 15.999 *42 O 0.56047902146198 0.83001958360452 0.92019504848210 15.999 43 O 0.95478364636850 0.80470674267742 0.62277878560860 15.999 44 O 0.84992309630892 0.04521635363150 0.62277878560860 15.999 *45 O 0.87173848864925 0.48465419944626 0.60172586524090 15.999 46 O 0.42312874949937 0.10174518112745 0.23287683683915 15.999 47 O 0.38708428920299 0.87173848864925 0.10172586524090 15.999 *48 O 0.38824960050113 0.87238991668111 0.36252405230220 15.999 *49 O 0.95136619930633 0.80276537795873 0.84073558876892 15.999 50 O 0.12761008331889 0.51585968382002 0.36252405230220 15.999 51 O 0.80470674267742 0.84992309630892 0.12277878560860 15.999 52 O 0.16998041639548 0.73045943785745 0.92019504848210 15.999 53 O 0.48465419944626 0.61291571079701 0.10172586524090 15.999 54 O 0.32138356837192 0.42312874949937 0.73287683683915 15.999 55 O 0.48414031617998 0.61175039949887 0.36252405230220 15.999 56 O 0.26954056214255 0.43952097853803 0.92019504848210 15.999 57 O 0.85139917865240 0.04863380069367 0.84073558876892 15.999 58 O 0.10174518112745 0.67861643162809 0.73287683683915 15.999 59 O 0.51534580055374 0.38708428920299 0.60172586524090 15.999 60 O 0.80276537795873 0.85139917865240 0.34073558876892 15.999 61 O 0.43952097853803 0.16998041639548 0.42019504848210 15.999 62 O 0.55399469359376 0.82562151751402 0.54829780173003 15.999 63 O 0.51585968382002 0.38824960050113 0.86252405230220 15.999 64 O 0.61291571079701 0.12826151135075 0.60172586524090 15.999 65 O 0.04521635363150 0.19529325732258 0.12277878560860 15.999 66 O 0.44600530640624 0.17437848248598 0.04829780173003 15.999 67 O 0.12826151135075 0.51534580055374 0.10172586524090 15.999 68 O 0.83001958360452 0.26954056214255 0.42019504848210 15.999 69 O 0.73045943785745 0.56047902146198 0.42019504848210 15.999 70 O 0.14860082134760 0.95136619930633 0.34073558876892 15.999 71 O 0.67861643162809 0.57687125050064 0.23287683683915 15.999 72 O 0.27162682392026 0.44600530640624 0.54829780173003 15.999 73 O 0.87238991668111 0.48414031617998 0.86252405230220 15.999 74 O 0.04863380069367 0.19723462204127 0.34073558876892 15.999 75 O 0.61175039949887 0.12761008331889 0.86252405230220 15.999 76 O 0.89825481887255 0.32138356837192 0.23287683683915 15.999 77 O 0.15007690369108 0.95478364636850 0.12277878560860 15.999 78 O 0.19723462204127 0.14860082134760 0.84073558876892 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.371162560020085 0.000000000000000 0.000000000000000 b -4.685581280010043 8.115664839971007 0.000000000000000 c 0.000000000000000 0.000000000000000 13.690615520000000 Atomic positions (fractional): *1 Na 0.31741156847596 0.33173501555397 0.39372852488402 22.990 > 1 2 Na 0.68258843152404 0.66826498444603 0.89372852488402 22.990 > 2 *3 Na 0.00000000000000 0.00000000000000 0.48191621821113 22.990 > 3 *4 Na 0.98366733868926 0.31531509072868 0.57131095944208 22.990 > 4 5 Na 0.01432344707801 0.68258843152404 0.39372852488402 22.990 > 5 6 Na 0.66826498444603 0.98567655292199 0.39372852488402 22.990 > 6 7 Na 0.68468490927132 0.66835224796058 0.57131095944208 22.990 > 7 *8 Na 0.33333333333333 0.66666666666667 0.23118108589746 22.990 > 8 9 Na 0.98567655292199 0.31741156847596 0.89372852488402 22.990 > 9 10 Na 0.66835224796058 0.98366733868926 0.07131095944208 22.990 > 10 11 Na 0.33164775203942 0.01633266131074 0.57131095944208 22.990 > 11 12 Na 0.33173501555397 0.01432344707801 0.89372852488402 22.990 > 12 13 Na 0.01633266131074 0.68468490927132 0.07131095944208 22.990 > 13 14 Na 0.00000000000000 0.00000000000000 0.98191621821113 22.990 > 14 15 Na 0.66666666666667 0.33333333333333 0.73118108589746 22.990 > 15 *16 Na 0.33333333333333 0.66666666666667 0.70557991594554 22.990 > 16 17 Na 0.31531509072868 0.33164775203942 0.07131095944208 22.990 > 17 18 Na 0.66666666666667 0.33333333333333 0.20557991594554 22.990 > 18 *19 Tm 0.33333333333333 0.66666666666667 0.46141905102999 168.934 > 19 *20 Tm 0.00000000000000 0.00000000000000 0.23224059795695 168.934 > 20 21 Tm 0.00000000000000 0.00000000000000 0.73224059795695 168.934 > 21 *22 Tm 0.33333333333333 0.66666666666667 0.99988467656394 168.934 > 22 23 Tm 0.66666666666667 0.33333333333333 0.96141905102999 168.934 > 23 24 Tm 0.66666666666667 0.33333333333333 0.49988467656394 168.934 > 24 *25 Si 0.34641228270677 0.01859550523730 0.34231163356625 28.085 > 25 *26 Si 0.67173797307112 0.65309841455080 0.12310769793406 28.085 > 26 27 Si 0.01863955852032 0.67173797307112 0.62310769793406 28.085 > 27 28 Si 0.32781677746947 0.34641228270677 0.84231163356625 28.085 > 28 29 Si 0.98136044147968 0.32826202692888 0.12310769793406 28.085 > 29 30 Si 0.65309841455080 0.98136044147968 0.62310769793406 28.085 > 30 31 Si 0.98140449476270 0.32781677746947 0.34231163356625 28.085 > 31 32 Si 0.65358771729323 0.98140449476270 0.84231163356625 28.085 > 32 33 Si 0.34690158544920 0.01863955852032 0.12310769793406 28.085 > 33 34 Si 0.01859550523730 0.67218322253053 0.84231163356625 28.085 > 34 35 Si 0.32826202692888 0.34690158544920 0.62310769793406 28.085 > 35 36 Si 0.67218322253053 0.65358771729323 0.34231163356625 28.085 > 36 *37 O 0.19529325732258 0.15007690369108 0.62277878560860 15.999 > 37 *38 O 0.72837317607974 0.55399469359376 0.04829780173003 15.999 > 38 39 O 0.82562151751402 0.27162682392026 0.04829780173003 15.999 > 39 40 O 0.17437848248598 0.72837317607974 0.54829780173003 15.999 > 40 *41 O 0.57687125050064 0.89825481887255 0.73287683683915 15.999 > 41 *42 O 0.56047902146198 0.83001958360452 0.92019504848210 15.999 > 42 43 O 0.95478364636850 0.80470674267742 0.62277878560860 15.999 > 43 44 O 0.84992309630892 0.04521635363150 0.62277878560860 15.999 > 44 *45 O 0.87173848864925 0.48465419944626 0.60172586524090 15.999 > 45 46 O 0.42312874949937 0.10174518112745 0.23287683683915 15.999 > 46 47 O 0.38708428920299 0.87173848864925 0.10172586524090 15.999 > 47 *48 O 0.38824960050113 0.87238991668111 0.36252405230220 15.999 > 48 *49 O 0.95136619930633 0.80276537795873 0.84073558876892 15.999 > 49 50 O 0.12761008331889 0.51585968382002 0.36252405230220 15.999 > 50 51 O 0.80470674267742 0.84992309630892 0.12277878560860 15.999 > 51 52 O 0.16998041639548 0.73045943785745 0.92019504848210 15.999 > 52 53 O 0.48465419944626 0.61291571079701 0.10172586524090 15.999 > 53 54 O 0.32138356837192 0.42312874949937 0.73287683683915 15.999 > 54 55 O 0.48414031617998 0.61175039949887 0.36252405230220 15.999 > 55 56 O 0.26954056214255 0.43952097853803 0.92019504848210 15.999 > 56 57 O 0.85139917865240 0.04863380069367 0.84073558876892 15.999 > 57 58 O 0.10174518112745 0.67861643162809 0.73287683683915 15.999 > 58 59 O 0.51534580055374 0.38708428920299 0.60172586524090 15.999 > 59 60 O 0.80276537795873 0.85139917865240 0.34073558876892 15.999 > 60 61 O 0.43952097853803 0.16998041639548 0.42019504848210 15.999 > 61 62 O 0.55399469359376 0.82562151751402 0.54829780173003 15.999 > 62 63 O 0.51585968382002 0.38824960050113 0.86252405230220 15.999 > 63 64 O 0.61291571079701 0.12826151135075 0.60172586524090 15.999 > 64 65 O 0.04521635363150 0.19529325732258 0.12277878560860 15.999 > 65 66 O 0.44600530640624 0.17437848248598 0.04829780173003 15.999 > 66 67 O 0.12826151135075 0.51534580055374 0.10172586524090 15.999 > 67 68 O 0.83001958360452 0.26954056214255 0.42019504848210 15.999 > 68 69 O 0.73045943785745 0.56047902146198 0.42019504848210 15.999 > 69 70 O 0.14860082134760 0.95136619930633 0.34073558876892 15.999 > 70 71 O 0.67861643162809 0.57687125050064 0.23287683683915 15.999 > 71 72 O 0.27162682392026 0.44600530640624 0.54829780173003 15.999 > 72 73 O 0.87238991668111 0.48414031617998 0.86252405230220 15.999 > 73 74 O 0.04863380069367 0.19723462204127 0.34073558876892 15.999 > 74 75 O 0.61175039949887 0.12761008331889 0.86252405230220 15.999 > 75 76 O 0.89825481887255 0.32138356837192 0.23287683683915 15.999 > 76 77 O 0.15007690369108 0.95478364636850 0.12277878560860 15.999 > 77 78 O 0.19723462204127 0.14860082134760 0.84073558876892 15.999 > 78 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.371162560020085 0.000000000000000 0.000000000000000 b -4.685581280010043 8.115664839971007 0.000000000000000 c 0.000000000000000 0.000000000000000 13.690615520000000 Atomic positions (fractional): *1 Na 0.31741156847596 0.33173501555397 0.39372852488402 22.990 > 1 2 Na 0.68258843152404 0.66826498444603 0.89372852488402 22.990 > 2 *3 Na 0.00000000000000 0.00000000000000 0.48191621821113 22.990 > 3 *4 Na 0.98366733868926 0.31531509072868 0.57131095944208 22.990 > 4 5 Na 0.01432344707801 0.68258843152404 0.39372852488402 22.990 > 5 6 Na 0.66826498444603 0.98567655292199 0.39372852488402 22.990 > 6 7 Na 0.68468490927132 0.66835224796058 0.57131095944208 22.990 > 7 *8 Na 0.33333333333333 0.66666666666667 0.23118108589746 22.990 > 8 9 Na 0.98567655292199 0.31741156847596 0.89372852488402 22.990 > 9 10 Na 0.66835224796058 0.98366733868926 0.07131095944208 22.990 > 10 11 Na 0.33164775203942 0.01633266131074 0.57131095944208 22.990 > 11 12 Na 0.33173501555397 0.01432344707801 0.89372852488402 22.990 > 12 13 Na 0.01633266131074 0.68468490927132 0.07131095944208 22.990 > 13 14 Na 0.00000000000000 0.00000000000000 0.98191621821113 22.990 > 14 15 Na 0.66666666666667 0.33333333333333 0.73118108589746 22.990 > 15 *16 Na 0.33333333333333 0.66666666666667 0.70557991594554 22.990 > 16 17 Na 0.31531509072868 0.33164775203942 0.07131095944208 22.990 > 17 18 Na 0.66666666666667 0.33333333333333 0.20557991594554 22.990 > 18 *19 Tm 0.33333333333333 0.66666666666667 0.46141905102999 168.934 > 19 *20 Tm 0.00000000000000 0.00000000000000 0.23224059795695 168.934 > 20 21 Tm 0.00000000000000 0.00000000000000 0.73224059795695 168.934 > 21 *22 Tm 0.33333333333333 0.66666666666667 0.99988467656394 168.934 > 22 23 Tm 0.66666666666667 0.33333333333333 0.96141905102999 168.934 > 23 24 Tm 0.66666666666667 0.33333333333333 0.49988467656394 168.934 > 24 *25 Si 0.34641228270677 0.01859550523730 0.34231163356625 28.085 > 25 *26 Si 0.67173797307112 0.65309841455080 0.12310769793406 28.085 > 26 27 Si 0.01863955852032 0.67173797307112 0.62310769793406 28.085 > 27 28 Si 0.32781677746947 0.34641228270677 0.84231163356625 28.085 > 28 29 Si 0.98136044147968 0.32826202692888 0.12310769793406 28.085 > 29 30 Si 0.65309841455080 0.98136044147968 0.62310769793406 28.085 > 30 31 Si 0.98140449476270 0.32781677746947 0.34231163356625 28.085 > 31 32 Si 0.65358771729323 0.98140449476270 0.84231163356625 28.085 > 32 33 Si 0.34690158544920 0.01863955852032 0.12310769793406 28.085 > 33 34 Si 0.01859550523730 0.67218322253053 0.84231163356625 28.085 > 34 35 Si 0.32826202692888 0.34690158544920 0.62310769793406 28.085 > 35 36 Si 0.67218322253053 0.65358771729323 0.34231163356625 28.085 > 36 *37 O 0.19529325732258 0.15007690369108 0.62277878560860 15.999 > 37 *38 O 0.72837317607974 0.55399469359376 0.04829780173003 15.999 > 38 39 O 0.82562151751402 0.27162682392026 0.04829780173003 15.999 > 39 40 O 0.17437848248598 0.72837317607974 0.54829780173003 15.999 > 40 *41 O 0.57687125050064 0.89825481887255 0.73287683683915 15.999 > 41 *42 O 0.56047902146198 0.83001958360452 0.92019504848210 15.999 > 42 43 O 0.95478364636850 0.80470674267742 0.62277878560860 15.999 > 43 44 O 0.84992309630892 0.04521635363150 0.62277878560860 15.999 > 44 *45 O 0.87173848864925 0.48465419944626 0.60172586524090 15.999 > 45 46 O 0.42312874949937 0.10174518112745 0.23287683683915 15.999 > 46 47 O 0.38708428920299 0.87173848864925 0.10172586524090 15.999 > 47 *48 O 0.38824960050113 0.87238991668111 0.36252405230220 15.999 > 48 *49 O 0.95136619930633 0.80276537795873 0.84073558876892 15.999 > 49 50 O 0.12761008331889 0.51585968382002 0.36252405230220 15.999 > 50 51 O 0.80470674267742 0.84992309630892 0.12277878560860 15.999 > 51 52 O 0.16998041639548 0.73045943785745 0.92019504848210 15.999 > 52 53 O 0.48465419944626 0.61291571079701 0.10172586524090 15.999 > 53 54 O 0.32138356837192 0.42312874949937 0.73287683683915 15.999 > 54 55 O 0.48414031617998 0.61175039949887 0.36252405230220 15.999 > 55 56 O 0.26954056214255 0.43952097853803 0.92019504848210 15.999 > 56 57 O 0.85139917865240 0.04863380069367 0.84073558876892 15.999 > 57 58 O 0.10174518112745 0.67861643162809 0.73287683683915 15.999 > 58 59 O 0.51534580055374 0.38708428920299 0.60172586524090 15.999 > 59 60 O 0.80276537795873 0.85139917865240 0.34073558876892 15.999 > 60 61 O 0.43952097853803 0.16998041639548 0.42019504848210 15.999 > 61 62 O 0.55399469359376 0.82562151751402 0.54829780173003 15.999 > 62 63 O 0.51585968382002 0.38824960050113 0.86252405230220 15.999 > 63 64 O 0.61291571079701 0.12826151135075 0.60172586524090 15.999 > 64 65 O 0.04521635363150 0.19529325732258 0.12277878560860 15.999 > 65 66 O 0.44600530640624 0.17437848248598 0.04829780173003 15.999 > 66 67 O 0.12826151135075 0.51534580055374 0.10172586524090 15.999 > 67 68 O 0.83001958360452 0.26954056214255 0.42019504848210 15.999 > 68 69 O 0.73045943785745 0.56047902146198 0.42019504848210 15.999 > 69 70 O 0.14860082134760 0.95136619930633 0.34073558876892 15.999 > 70 71 O 0.67861643162809 0.57687125050064 0.23287683683915 15.999 > 71 72 O 0.27162682392026 0.44600530640624 0.54829780173003 15.999 > 72 73 O 0.87238991668111 0.48414031617998 0.86252405230220 15.999 > 73 74 O 0.04863380069367 0.19723462204127 0.34073558876892 15.999 > 74 75 O 0.61175039949887 0.12761008331889 0.86252405230220 15.999 > 75 76 O 0.89825481887255 0.32138356837192 0.23287683683915 15.999 > 76 77 O 0.15007690369108 0.95478364636850 0.12277878560860 15.999 > 77 78 O 0.19723462204127 0.14860082134760 0.84073558876892 15.999 > 78 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7189357 0.0000007 0.0000000 -0.0000007 2.7189357 0.0000000 0.0000000 0.0000000 2.7652842 -------------------------- Born effective charges -------------------------- 1 Na 1.0904832 -0.0211590 0.0533070 -0.0273011 1.0991772 0.0545056 0.0410069 0.0745882 0.9955374 2 Na 1.0904832 -0.0211590 -0.0533070 -0.0273011 1.0991772 -0.0545056 -0.0410069 -0.0745882 0.9955374 3 Na 1.0713104 -0.0285731 -0.0000000 0.0285731 1.0713104 -0.0000000 0.0000000 0.0000000 1.2881055 4 Na 1.1143251 0.0178073 0.0207300 0.0080485 1.0783438 -0.0734312 0.0414980 -0.0745846 0.9836590 5 Na 1.1179875 0.0114214 0.0205497 0.0052794 1.0716728 -0.0734180 0.0440918 -0.0728071 0.9955374 6 Na 1.0760198 0.0189507 -0.0738567 0.0128086 1.1136405 0.0189124 -0.0850987 -0.0017811 0.9955374 7 Na 1.0985350 -0.0171649 0.0532282 -0.0269238 1.0941339 0.0546683 0.0438432 0.0732307 0.9836590 8 Na 0.9940583 -0.0282967 -0.0000000 0.0282967 0.9940583 -0.0000000 0.0000000 0.0000000 1.2385261 9 Na 1.1179875 0.0114214 -0.0205497 0.0052794 1.0716728 0.0734180 -0.0440918 0.0728071 0.9955374 10 Na 1.0761432 0.0139958 0.0739583 0.0042370 1.1165257 -0.0187629 0.0853412 -0.0013540 0.9836590 11 Na 1.0761432 0.0139958 -0.0739583 0.0042370 1.1165257 0.0187629 -0.0853412 0.0013540 0.9836590 12 Na 1.0760198 0.0189507 0.0738567 0.0128086 1.1136405 -0.0189124 0.0850987 0.0017811 0.9955374 13 Na 1.1143251 0.0178073 -0.0207300 0.0080485 1.0783438 0.0734312 -0.0414980 0.0745846 0.9836590 14 Na 1.0713104 -0.0285731 -0.0000000 0.0285731 1.0713104 -0.0000000 0.0000000 0.0000000 1.2881055 15 Na 0.9940583 -0.0282967 -0.0000000 0.0282967 0.9940583 -0.0000000 0.0000000 0.0000000 1.2385261 16 Na 1.0805178 -0.0077284 -0.0000000 0.0077284 1.0805178 -0.0000000 0.0000000 0.0000000 1.1148230 17 Na 1.0985350 -0.0171649 -0.0532282 -0.0269238 1.0941339 -0.0546683 -0.0438432 -0.0732307 0.9836590 18 Na 1.0805178 -0.0077284 -0.0000000 0.0077284 1.0805178 -0.0000000 0.0000000 0.0000000 1.1148230 19 Tm 3.8666286 -0.3320549 -0.0000000 0.3320549 3.8666286 -0.0000000 0.0000000 0.0000000 3.6450899 20 Tm 3.2053238 -0.1607472 -0.0000000 0.1607472 3.2053238 -0.0000000 0.0000000 0.0000000 4.0272465 21 Tm 3.2053238 -0.1607472 -0.0000000 0.1607472 3.2053238 -0.0000000 0.0000000 0.0000000 4.0272465 22 Tm 3.9267337 -0.3230516 -0.0000000 0.3230516 3.9267337 -0.0000000 0.0000000 0.0000000 3.5430672 23 Tm 3.8666286 -0.3320549 -0.0000000 0.3320549 3.8666286 -0.0000000 0.0000000 0.0000000 3.6450899 24 Tm 3.9267337 -0.3230516 -0.0000000 0.3230516 3.9267337 -0.0000000 0.0000000 0.0000000 3.5430672 25 Si 2.8926113 0.1121600 0.3222396 -0.2458200 2.9326060 0.2868708 0.4072485 -0.0440359 3.1295465 26 Si 2.9672713 0.1589726 -0.0759123 -0.1791463 2.8609319 0.4159798 0.2365969 0.3382677 3.0650147 27 Si 2.8962522 0.2201492 -0.3982052 -0.1179697 2.9319510 0.1422479 -0.1746500 0.3740327 3.0650147 28 Si 2.9804838 0.1950868 -0.0873176 -0.1628933 2.8447335 0.4225031 0.2417604 0.3306696 3.1295465 29 Si 2.8962522 0.2201492 0.3982052 -0.1179697 2.9319510 -0.1422479 0.1746500 -0.3740327 3.0650147 30 Si 2.8787813 0.1280565 0.3222929 -0.2100624 2.9494219 0.2737319 0.4112468 -0.0357651 3.0650147 31 Si 2.8647308 0.2297232 -0.4095572 -0.1282568 2.9604864 0.1356323 -0.1654880 0.3747055 3.1295465 32 Si 2.8926113 0.1121600 -0.3222396 -0.2458200 2.9326060 -0.2868708 -0.4072485 0.0440359 3.1295465 33 Si 2.8787813 0.1280565 -0.3222929 -0.2100624 2.9494219 -0.2737319 -0.4112468 0.0357651 3.0650147 34 Si 2.8647308 0.2297232 0.4095572 -0.1282568 2.9604864 -0.1356323 0.1654880 -0.3747055 3.1295465 35 Si 2.9672713 0.1589726 0.0759123 -0.1791463 2.8609319 -0.4159798 -0.2365969 -0.3382677 3.0650147 36 Si 2.9804838 0.1950868 0.0873176 -0.1628933 2.8447335 -0.4225031 -0.2417604 -0.3306696 3.1295465 37 O -1.4540209 -0.4676366 0.2597457 -0.4422223 -2.2721514 0.3718484 0.3117736 0.3687887 -1.6455701 38 O -1.6632825 0.4639124 0.4544819 0.4642625 -2.1386358 -0.7189049 0.4433597 -0.7563848 -1.8744981 39 O -2.4217090 -0.0263848 -0.8498309 -0.0260346 -1.3802093 -0.0341404 -0.8767283 -0.0057684 -1.8744981 40 O -2.4217090 -0.0263848 0.8498309 -0.0260346 -1.3802093 0.0341404 0.8767283 0.0057684 -1.8744981 41 O -1.1838763 -0.1769913 -0.0150206 -0.1000726 -1.3390477 -0.0260419 -0.0175979 -0.0207586 -2.8085118 42 O -1.6260422 -0.4271995 0.3936360 -0.4219809 -2.1642178 0.7674803 0.4419994 0.7814257 -1.8572948 43 O -1.6736383 0.5690185 0.1921573 0.5944328 -2.0525340 -0.4108706 0.1634936 -0.4543982 -1.6455701 44 O -2.4615992 -0.1395033 -0.4519031 -0.1140891 -1.2645730 0.0390222 -0.4752672 0.0856095 -1.6455701 45 O -1.6136144 -0.5456273 -0.2763729 -0.5532713 -2.3223575 -0.5153438 -0.2982290 -0.5622081 -1.6378105 46 O -1.1838763 -0.1769913 0.0150206 -0.1000726 -1.3390477 0.0260419 0.0175979 0.0207586 -2.8085118 47 O -1.6693347 0.5854414 0.3081143 0.5777974 -2.2666372 -0.4970179 0.3377720 -0.5393780 -1.6378105 48 O -1.6723776 0.6042249 -0.3096368 0.5950538 -2.2840172 0.4986576 -0.3440656 0.5605395 -1.6487050 49 O -1.6764447 0.5628094 -0.1939914 0.5967546 -2.0553787 0.4227836 -0.1631253 0.4663171 -1.6536536 50 O -1.6118044 -0.5600818 -0.2770317 -0.5692529 -2.3445904 -0.5174821 -0.3134086 -0.5782393 -1.6487050 51 O -1.4540209 -0.4676366 -0.2597457 -0.4422223 -2.2721514 -0.3718484 -0.3117736 -0.3687887 -1.6455701 52 O -2.3973798 -0.0233511 -0.8614754 -0.0181324 -1.3928802 -0.0428414 -0.8977342 -0.0079301 -1.8572948 53 O -2.6210088 -0.0283481 -0.5844873 -0.0359922 -1.3149632 -0.0183259 -0.6360010 -0.0228301 -1.6378105 54 O -1.1802827 0.0979978 -0.0150426 0.1749165 -1.3426414 0.0260292 -0.0091785 0.0256196 -2.8085118 55 O -2.6504102 -0.0303864 0.5866685 -0.0395575 -1.3059846 0.0188245 0.6574743 0.0176998 -1.6487050 56 O -1.6619680 0.4427226 0.4678394 0.4479413 -2.1282920 -0.7246389 0.4557348 -0.7734956 -1.8572948 57 O -2.4627511 -0.1427803 0.4631370 -0.1088351 -1.2690723 -0.0433903 0.4854051 -0.0918879 -1.6536536 58 O -1.4202271 -0.0363846 0.0300632 0.0405341 -1.1026970 0.0000127 0.0267765 -0.0048609 -2.8085118 59 O -2.6210088 -0.0283481 0.5844873 -0.0359922 -1.3149632 0.0183259 0.6360010 0.0228301 -1.6378105 60 O -1.4585393 -0.4709469 0.2691456 -0.4370016 -2.2732841 0.3793932 0.3222798 0.3744292 -1.6536536 61 O -1.6260422 -0.4271995 -0.3936360 -0.4219809 -2.1642178 -0.7674803 -0.4419994 -0.7814257 -1.8572948 62 O -1.6178860 -0.4380528 -0.3953490 -0.4377026 -2.1840324 -0.7530454 -0.4333686 -0.7621532 -1.8744981 63 O -2.6504102 -0.0303864 -0.5866685 -0.0395575 -1.3059846 -0.0188245 -0.6574743 -0.0176998 -1.6487050 64 O -1.6693347 0.5854414 -0.3081143 0.5777974 -2.2666372 0.4970179 -0.3377720 0.5393780 -1.6378105 65 O -1.6736383 0.5690185 -0.1921573 0.5944328 -2.0525340 0.4108706 -0.1634936 0.4543982 -1.6455701 66 O -1.6178860 -0.4380528 0.3953490 -0.4377026 -2.1840324 0.7530454 0.4333686 0.7621532 -1.8744981 67 O -1.6136144 -0.5456273 0.2763729 -0.5532713 -2.3223575 0.5153438 0.2982290 0.5622081 -1.6378105 68 O -2.3973798 -0.0233511 0.8614754 -0.0181324 -1.3928802 0.0428414 0.8977342 0.0079301 -1.8572948 69 O -1.6619680 0.4427226 -0.4678394 0.4479413 -2.1282920 0.7246389 -0.4557348 0.7734956 -1.8572948 70 O -2.4627511 -0.1427803 -0.4631370 -0.1088351 -1.2690723 0.0433903 -0.4854051 0.0918879 -1.6536536 71 O -1.1802827 0.0979978 0.0150426 0.1749165 -1.3426414 -0.0260292 0.0091785 -0.0256196 -2.8085118 72 O -1.6632825 0.4639124 -0.4544819 0.4642625 -2.1386358 0.7189049 -0.4433597 0.7563848 -1.8744981 73 O -1.6118044 -0.5600818 0.2770317 -0.5692529 -2.3445904 0.5174821 0.3134086 0.5782393 -1.6487050 74 O -1.6764447 0.5628094 0.1939914 0.5967546 -2.0553787 -0.4227836 0.1631253 -0.4663171 -1.6536536 75 O -1.6723776 0.6042249 0.3096368 0.5950538 -2.2840172 -0.4986576 0.3440656 -0.5605395 -1.6487050 76 O -1.4202271 -0.0363846 -0.0300632 0.0405341 -1.1026970 -0.0000127 -0.0267765 0.0048609 -2.8085118 77 O -2.4615992 -0.1395033 0.4519031 -0.1140891 -1.2645730 -0.0390222 0.4752672 -0.0856095 -1.6455701 78 O -1.4585393 -0.4709469 -0.2691456 -0.4370016 -2.2732841 -0.3793932 -0.3222798 -0.3744292 -1.6536536 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 234/234 Permutation basis: 27261/27261 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4602 Number of blocks in projector: 2128 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 2074 Use submatrix version of eigh solver. (1) Block: 500 / 2074 (2) Block: 250 / 500 (2) 195 eigenvectors found. (2) Block: 500 / 500 (2) 195 eigenvectors found. (2) Complementary block size: 110 (2) Compute compressed projector. (2) Use standard solver. (2) 55 eigenvectors found. (1) 445 eigenvectors found. (1) Block: 1000 / 2074 (2) Block: 250 / 500 (2) 200 eigenvectors found. (2) Block: 500 / 500 (2) 204 eigenvectors found. (2) Complementary block size: 96 (2) Compute compressed projector. (2) Use standard solver. (2) 46 eigenvectors found. (1) 450 eigenvectors found. (1) Block: 1500 / 2074 (2) Block: 250 / 500 (2) 199 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 86 (2) Compute compressed projector. (2) Use standard solver. (2) 35 eigenvectors found. (1) 449 eigenvectors found. (1) Block: 2074 / 2074 (2) Block: 250 / 574 (2) 219 eigenvectors found. (2) Block: 500 / 574 (2) 227 eigenvectors found. (2) Block: 574 / 574 (2) 63 eigenvectors found. (2) Complementary block size: 65 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 543 eigenvectors found. (1) Complementary block size: 187 (1) Compute compressed projector. (1) Use standard solver. (1) 132 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 1980 Use submatrix version of eigh solver. (1) Block: 500 / 1980 (2) Block: 250 / 500 (2) 206 eigenvectors found. (2) Block: 500 / 500 (2) 206 eigenvectors found. (2) Complementary block size: 88 (2) Compute compressed projector. (2) Use standard solver. (2) 44 eigenvectors found. (1) 456 eigenvectors found. (1) Block: 1000 / 1980 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 460 eigenvectors found. (1) Block: 1500 / 1980 (2) Block: 250 / 500 (2) 210 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 76 (2) Compute compressed projector. (2) Use standard solver. (2) 36 eigenvectors found. (1) 460 eigenvectors found. (1) Block: 1980 / 1980 (1) 444 eigenvectors found. (1) Complementary block size: 160 (1) Compute compressed projector. (1) Use standard solver. (1) 116 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 548 Use submatrix version of eigh solver. (1) Block: 548 / 548 (2) Block: 250 / 548 (2) 233 eigenvectors found. (2) Block: 548 / 548 (2) 283 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 531 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4602, 4486), data: False |-- (548, 531), data: False |-- (548, 531), data: False |-- (548, 15), data: (548, 32) @ (32, 15) |-- (298, 283), data: True |-- (250, 233), data: True |-- (1980, 1936), data: False |-- (1980, 116), data: (1980, 160) @ (160, 116) |-- (480, 444), data: True |-- (500, 460), data: False |-- (500, 36), data: (500, 76) @ (76, 36) |-- (250, 214), data: True |-- (250, 210), data: True |-- (500, 460), data: False |-- (500, 24), data: (500, 64) @ (64, 24) |-- (250, 218), data: True |-- (250, 218), data: True |-- (500, 456), data: False |-- (500, 44), data: (500, 88) @ (88, 44) |-- (250, 206), data: True |-- (250, 206), data: True |-- (2074, 2019), data: False |-- (2074, 132), data: (2074, 187) @ (187, 132) |-- (574, 543), data: False |-- (574, 34), data: (574, 65) @ (65, 34) |-- (74, 63), data: True |-- (250, 227), data: True |-- (250, 219), data: True |-- (500, 449), data: False |-- (500, 35), data: (500, 86) @ (86, 35) |-- (250, 215), data: True |-- (250, 199), data: True |-- (500, 450), data: False |-- (500, 46), data: (500, 96) @ (96, 46) |-- (250, 204), data: True |-- (250, 200), data: True |-- (500, 445), data: False |-- (500, 55), data: (500, 110) @ (110, 55) |-- (250, 195), data: True |-- (250, 195), data: True ----- Solver_atoms: 1 -- 78 / 78 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1600 - Time: 0.835 Solver_block: 200 / 1600 - Time: 0.683 Solver_block: 300 / 1600 - Time: 0.681 Solver_block: 400 / 1600 - Time: 0.685 Solver_block: 500 / 1600 - Time: 0.680 Solver_block: 600 / 1600 - Time: 0.684 Solver_block: 700 / 1600 - Time: 0.684 Solver_block: 800 / 1600 - Time: 0.682 Solver_block: 900 / 1600 - Time: 0.681 Solver_block: 1000 / 1600 - Time: 0.682 Solver_block: 1100 / 1600 - Time: 0.684 Solver_block: 1200 / 1600 - Time: 0.684 Solver_block: 1300 / 1600 - Time: 0.683 Solver_block: 1400 / 1600 - Time: 0.684 Solver_block: 1500 / 1600 - Time: 0.682 Solver_block: 1600 / 1600 - Time: 0.682 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 11.381 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 234/234 Permutation basis: 27261/27261 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4602 Number of blocks in projector: 2128 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 2074 Use submatrix version of eigh solver. (1) Block: 500 / 2074 (2) Block: 250 / 500 (2) 195 eigenvectors found. (2) Block: 500 / 500 (2) 195 eigenvectors found. (2) Complementary block size: 110 (2) Compute compressed projector. (2) Use standard solver. (2) 55 eigenvectors found. (1) 445 eigenvectors found. (1) Block: 1000 / 2074 (2) Block: 250 / 500 (2) 200 eigenvectors found. (2) Block: 500 / 500 (2) 204 eigenvectors found. (2) Complementary block size: 96 (2) Compute compressed projector. (2) Use standard solver. (2) 46 eigenvectors found. (1) 450 eigenvectors found. (1) Block: 1500 / 2074 (2) Block: 250 / 500 (2) 199 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 86 (2) Compute compressed projector. (2) Use standard solver. (2) 35 eigenvectors found. (1) 449 eigenvectors found. (1) Block: 2074 / 2074 (2) Block: 250 / 574 (2) 219 eigenvectors found. (2) Block: 500 / 574 (2) 227 eigenvectors found. (2) Block: 574 / 574 (2) 63 eigenvectors found. (2) Complementary block size: 65 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 543 eigenvectors found. (1) Complementary block size: 187 (1) Compute compressed projector. (1) Use standard solver. (1) 132 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 1980 Use submatrix version of eigh solver. (1) Block: 500 / 1980 (2) Block: 250 / 500 (2) 206 eigenvectors found. (2) Block: 500 / 500 (2) 206 eigenvectors found. (2) Complementary block size: 88 (2) Compute compressed projector. (2) Use standard solver. (2) 44 eigenvectors found. (1) 456 eigenvectors found. (1) Block: 1000 / 1980 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 460 eigenvectors found. (1) Block: 1500 / 1980 (2) Block: 250 / 500 (2) 210 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 76 (2) Compute compressed projector. (2) Use standard solver. (2) 36 eigenvectors found. (1) 460 eigenvectors found. (1) Block: 1980 / 1980 (1) 444 eigenvectors found. (1) Complementary block size: 160 (1) Compute compressed projector. (1) Use standard solver. (1) 116 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 548 Use submatrix version of eigh solver. (1) Block: 548 / 548 (2) Block: 250 / 548 (2) 233 eigenvectors found. (2) Block: 548 / 548 (2) 283 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 531 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4602, 4486), data: False |-- (548, 531), data: False |-- (548, 531), data: False |-- (548, 15), data: (548, 32) @ (32, 15) |-- (298, 283), data: True |-- (250, 233), data: True |-- (1980, 1936), data: False |-- (1980, 116), data: (1980, 160) @ (160, 116) |-- (480, 444), data: True |-- (500, 460), data: False |-- (500, 36), data: (500, 76) @ (76, 36) |-- (250, 214), data: True |-- (250, 210), data: True |-- (500, 460), data: False |-- (500, 24), data: (500, 64) @ (64, 24) |-- (250, 218), data: True |-- (250, 218), data: True |-- (500, 456), data: False |-- (500, 44), data: (500, 88) @ (88, 44) |-- (250, 206), data: True |-- (250, 206), data: True |-- (2074, 2019), data: False |-- (2074, 132), data: (2074, 187) @ (187, 132) |-- (574, 543), data: False |-- (574, 34), data: (574, 65) @ (65, 34) |-- (74, 63), data: True |-- (250, 227), data: True |-- (250, 219), data: True |-- (500, 449), data: False |-- (500, 35), data: (500, 86) @ (86, 35) |-- (250, 215), data: True |-- (250, 199), data: True |-- (500, 450), data: False |-- (500, 46), data: (500, 96) @ (96, 46) |-- (250, 204), data: True |-- (250, 200), data: True |-- (500, 445), data: False |-- (500, 55), data: (500, 110) @ (110, 55) |-- (250, 195), data: True |-- (250, 195), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 12:02:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:02:35]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3 (173) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.371162560020085 0.000000000000000 0.000000000000000 b -4.685581280010043 8.115664839971007 0.000000000000000 c 0.000000000000000 0.000000000000000 13.690615520000000 Atomic positions (fractional): 1 Na 0.31741156847596 0.33173501555397 0.39372852488402 22.990 2 Na 0.68258843152404 0.66826498444603 0.89372852488402 22.990 3 Na 0.00000000000000 0.00000000000000 0.48191621821113 22.990 4 Na 0.98366733868926 0.31531509072868 0.57131095944208 22.990 5 Na 0.01432344707801 0.68258843152404 0.39372852488402 22.990 6 Na 0.66826498444603 0.98567655292199 0.39372852488402 22.990 7 Na 0.68468490927132 0.66835224796058 0.57131095944208 22.990 8 Na 0.33333333333333 0.66666666666667 0.23118108589746 22.990 9 Na 0.98567655292199 0.31741156847596 0.89372852488402 22.990 10 Na 0.66835224796058 0.98366733868926 0.07131095944208 22.990 11 Na 0.33164775203942 0.01633266131074 0.57131095944208 22.990 12 Na 0.33173501555397 0.01432344707801 0.89372852488402 22.990 13 Na 0.01633266131074 0.68468490927132 0.07131095944208 22.990 14 Na 0.00000000000000 0.00000000000000 0.98191621821113 22.990 15 Na 0.66666666666667 0.33333333333333 0.73118108589746 22.990 16 Na 0.33333333333333 0.66666666666667 0.70557991594554 22.990 17 Na 0.31531509072868 0.33164775203942 0.07131095944208 22.990 18 Na 0.66666666666667 0.33333333333333 0.20557991594554 22.990 19 Tm 0.33333333333333 0.66666666666667 0.46141905102999 168.934 20 Tm 0.00000000000000 0.00000000000000 0.23224059795695 168.934 21 Tm 0.00000000000000 0.00000000000000 0.73224059795695 168.934 22 Tm 0.33333333333333 0.66666666666667 0.99988467656394 168.934 23 Tm 0.66666666666667 0.33333333333333 0.96141905102999 168.934 24 Tm 0.66666666666667 0.33333333333333 0.49988467656394 168.934 25 Si 0.34641228270677 0.01859550523730 0.34231163356625 28.085 26 Si 0.67173797307112 0.65309841455080 0.12310769793406 28.085 27 Si 0.01863955852032 0.67173797307112 0.62310769793406 28.085 28 Si 0.32781677746947 0.34641228270677 0.84231163356625 28.085 29 Si 0.98136044147968 0.32826202692888 0.12310769793406 28.085 30 Si 0.65309841455080 0.98136044147968 0.62310769793406 28.085 31 Si 0.98140449476270 0.32781677746947 0.34231163356625 28.085 32 Si 0.65358771729323 0.98140449476270 0.84231163356625 28.085 33 Si 0.34690158544920 0.01863955852032 0.12310769793406 28.085 34 Si 0.01859550523730 0.67218322253053 0.84231163356625 28.085 35 Si 0.32826202692888 0.34690158544920 0.62310769793406 28.085 36 Si 0.67218322253053 0.65358771729323 0.34231163356625 28.085 37 O 0.19529325732258 0.15007690369108 0.62277878560860 15.999 38 O 0.72837317607974 0.55399469359376 0.04829780173003 15.999 39 O 0.82562151751402 0.27162682392026 0.04829780173003 15.999 40 O 0.17437848248598 0.72837317607974 0.54829780173003 15.999 41 O 0.57687125050064 0.89825481887255 0.73287683683915 15.999 42 O 0.56047902146198 0.83001958360452 0.92019504848210 15.999 43 O 0.95478364636850 0.80470674267742 0.62277878560860 15.999 44 O 0.84992309630892 0.04521635363150 0.62277878560860 15.999 45 O 0.87173848864925 0.48465419944626 0.60172586524090 15.999 46 O 0.42312874949937 0.10174518112745 0.23287683683915 15.999 47 O 0.38708428920299 0.87173848864925 0.10172586524090 15.999 48 O 0.38824960050113 0.87238991668111 0.36252405230220 15.999 49 O 0.95136619930633 0.80276537795873 0.84073558876892 15.999 50 O 0.12761008331889 0.51585968382002 0.36252405230220 15.999 51 O 0.80470674267742 0.84992309630892 0.12277878560860 15.999 52 O 0.16998041639548 0.73045943785745 0.92019504848210 15.999 53 O 0.48465419944626 0.61291571079701 0.10172586524090 15.999 54 O 0.32138356837192 0.42312874949937 0.73287683683915 15.999 55 O 0.48414031617998 0.61175039949887 0.36252405230220 15.999 56 O 0.26954056214255 0.43952097853803 0.92019504848210 15.999 57 O 0.85139917865240 0.04863380069367 0.84073558876892 15.999 58 O 0.10174518112745 0.67861643162809 0.73287683683915 15.999 59 O 0.51534580055374 0.38708428920299 0.60172586524090 15.999 60 O 0.80276537795873 0.85139917865240 0.34073558876892 15.999 61 O 0.43952097853803 0.16998041639548 0.42019504848210 15.999 62 O 0.55399469359376 0.82562151751402 0.54829780173003 15.999 63 O 0.51585968382002 0.38824960050113 0.86252405230220 15.999 64 O 0.61291571079701 0.12826151135075 0.60172586524090 15.999 65 O 0.04521635363150 0.19529325732258 0.12277878560860 15.999 66 O 0.44600530640624 0.17437848248598 0.04829780173003 15.999 67 O 0.12826151135075 0.51534580055374 0.10172586524090 15.999 68 O 0.83001958360452 0.26954056214255 0.42019504848210 15.999 69 O 0.73045943785745 0.56047902146198 0.42019504848210 15.999 70 O 0.14860082134760 0.95136619930633 0.34073558876892 15.999 71 O 0.67861643162809 0.57687125050064 0.23287683683915 15.999 72 O 0.27162682392026 0.44600530640624 0.54829780173003 15.999 73 O 0.87238991668111 0.48414031617998 0.86252405230220 15.999 74 O 0.04863380069367 0.19723462204127 0.34073558876892 15.999 75 O 0.61175039949887 0.12761008331889 0.86252405230220 15.999 76 O 0.89825481887255 0.32138356837192 0.23287683683915 15.999 77 O 0.15007690369108 0.95478364636850 0.12277878560860 15.999 78 O 0.19723462204127 0.14860082134760 0.84073558876892 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.371162560020085 0.000000000000000 0.000000000000000 b -4.685581280010043 8.115664839971007 0.000000000000000 c 0.000000000000000 0.000000000000000 13.690615520000000 Atomic positions (fractional): 1 Na 0.31741156847596 0.33173501555397 0.39372852488402 22.990 > 1 2 Na 0.68258843152404 0.66826498444603 0.89372852488402 22.990 > 2 3 Na 0.00000000000000 0.00000000000000 0.48191621821113 22.990 > 3 4 Na 0.98366733868926 0.31531509072868 0.57131095944208 22.990 > 4 5 Na 0.01432344707801 0.68258843152404 0.39372852488402 22.990 > 5 6 Na 0.66826498444603 0.98567655292199 0.39372852488402 22.990 > 6 7 Na 0.68468490927132 0.66835224796058 0.57131095944208 22.990 > 7 8 Na 0.33333333333333 0.66666666666667 0.23118108589746 22.990 > 8 9 Na 0.98567655292199 0.31741156847596 0.89372852488402 22.990 > 9 10 Na 0.66835224796058 0.98366733868926 0.07131095944208 22.990 > 10 11 Na 0.33164775203942 0.01633266131074 0.57131095944208 22.990 > 11 12 Na 0.33173501555397 0.01432344707801 0.89372852488402 22.990 > 12 13 Na 0.01633266131074 0.68468490927132 0.07131095944208 22.990 > 13 14 Na 0.00000000000000 0.00000000000000 0.98191621821113 22.990 > 14 15 Na 0.66666666666667 0.33333333333333 0.73118108589746 22.990 > 15 16 Na 0.33333333333333 0.66666666666667 0.70557991594554 22.990 > 16 17 Na 0.31531509072868 0.33164775203942 0.07131095944208 22.990 > 17 18 Na 0.66666666666667 0.33333333333333 0.20557991594554 22.990 > 18 19 Tm 0.33333333333333 0.66666666666667 0.46141905102999 168.934 > 19 20 Tm 0.00000000000000 0.00000000000000 0.23224059795695 168.934 > 20 21 Tm 0.00000000000000 0.00000000000000 0.73224059795695 168.934 > 21 22 Tm 0.33333333333333 0.66666666666667 0.99988467656394 168.934 > 22 23 Tm 0.66666666666667 0.33333333333333 0.96141905102999 168.934 > 23 24 Tm 0.66666666666667 0.33333333333333 0.49988467656394 168.934 > 24 25 Si 0.34641228270677 0.01859550523730 0.34231163356625 28.085 > 25 26 Si 0.67173797307112 0.65309841455080 0.12310769793406 28.085 > 26 27 Si 0.01863955852032 0.67173797307112 0.62310769793406 28.085 > 27 28 Si 0.32781677746947 0.34641228270677 0.84231163356625 28.085 > 28 29 Si 0.98136044147968 0.32826202692888 0.12310769793406 28.085 > 29 30 Si 0.65309841455080 0.98136044147968 0.62310769793406 28.085 > 30 31 Si 0.98140449476270 0.32781677746947 0.34231163356625 28.085 > 31 32 Si 0.65358771729323 0.98140449476270 0.84231163356625 28.085 > 32 33 Si 0.34690158544920 0.01863955852032 0.12310769793406 28.085 > 33 34 Si 0.01859550523730 0.67218322253053 0.84231163356625 28.085 > 34 35 Si 0.32826202692888 0.34690158544920 0.62310769793406 28.085 > 35 36 Si 0.67218322253053 0.65358771729323 0.34231163356625 28.085 > 36 37 O 0.19529325732258 0.15007690369108 0.62277878560860 15.999 > 37 38 O 0.72837317607974 0.55399469359376 0.04829780173003 15.999 > 38 39 O 0.82562151751402 0.27162682392026 0.04829780173003 15.999 > 39 40 O 0.17437848248598 0.72837317607974 0.54829780173003 15.999 > 40 41 O 0.57687125050064 0.89825481887255 0.73287683683915 15.999 > 41 42 O 0.56047902146198 0.83001958360452 0.92019504848210 15.999 > 42 43 O 0.95478364636850 0.80470674267742 0.62277878560860 15.999 > 43 44 O 0.84992309630892 0.04521635363150 0.62277878560860 15.999 > 44 45 O 0.87173848864925 0.48465419944626 0.60172586524090 15.999 > 45 46 O 0.42312874949937 0.10174518112745 0.23287683683915 15.999 > 46 47 O 0.38708428920299 0.87173848864925 0.10172586524090 15.999 > 47 48 O 0.38824960050113 0.87238991668111 0.36252405230220 15.999 > 48 49 O 0.95136619930633 0.80276537795873 0.84073558876892 15.999 > 49 50 O 0.12761008331889 0.51585968382002 0.36252405230220 15.999 > 50 51 O 0.80470674267742 0.84992309630892 0.12277878560860 15.999 > 51 52 O 0.16998041639548 0.73045943785745 0.92019504848210 15.999 > 52 53 O 0.48465419944626 0.61291571079701 0.10172586524090 15.999 > 53 54 O 0.32138356837192 0.42312874949937 0.73287683683915 15.999 > 54 55 O 0.48414031617998 0.61175039949887 0.36252405230220 15.999 > 55 56 O 0.26954056214255 0.43952097853803 0.92019504848210 15.999 > 56 57 O 0.85139917865240 0.04863380069367 0.84073558876892 15.999 > 57 58 O 0.10174518112745 0.67861643162809 0.73287683683915 15.999 > 58 59 O 0.51534580055374 0.38708428920299 0.60172586524090 15.999 > 59 60 O 0.80276537795873 0.85139917865240 0.34073558876892 15.999 > 60 61 O 0.43952097853803 0.16998041639548 0.42019504848210 15.999 > 61 62 O 0.55399469359376 0.82562151751402 0.54829780173003 15.999 > 62 63 O 0.51585968382002 0.38824960050113 0.86252405230220 15.999 > 63 64 O 0.61291571079701 0.12826151135075 0.60172586524090 15.999 > 64 65 O 0.04521635363150 0.19529325732258 0.12277878560860 15.999 > 65 66 O 0.44600530640624 0.17437848248598 0.04829780173003 15.999 > 66 67 O 0.12826151135075 0.51534580055374 0.10172586524090 15.999 > 67 68 O 0.83001958360452 0.26954056214255 0.42019504848210 15.999 > 68 69 O 0.73045943785745 0.56047902146198 0.42019504848210 15.999 > 69 70 O 0.14860082134760 0.95136619930633 0.34073558876892 15.999 > 70 71 O 0.67861643162809 0.57687125050064 0.23287683683915 15.999 > 71 72 O 0.27162682392026 0.44600530640624 0.54829780173003 15.999 > 72 73 O 0.87238991668111 0.48414031617998 0.86252405230220 15.999 > 73 74 O 0.04863380069367 0.19723462204127 0.34073558876892 15.999 > 74 75 O 0.61175039949887 0.12761008331889 0.86252405230220 15.999 > 75 76 O 0.89825481887255 0.32138356837192 0.23287683683915 15.999 > 76 77 O 0.15007690369108 0.95478364636850 0.12277878560860 15.999 > 77 78 O 0.19723462204127 0.14860082134760 0.84073558876892 15.999 > 78 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7189357 0.0000007 0.0000000 -0.0000007 2.7189357 0.0000000 0.0000000 0.0000000 2.7652842 -------------------------- Born effective charges -------------------------- 1 Na 1.0904832 -0.0211590 0.0533070 -0.0273011 1.0991772 0.0545056 0.0410069 0.0745882 0.9955374 2 Na 1.0904832 -0.0211590 -0.0533070 -0.0273011 1.0991772 -0.0545056 -0.0410069 -0.0745882 0.9955374 3 Na 1.0713104 -0.0285731 -0.0000000 0.0285731 1.0713104 -0.0000000 0.0000000 0.0000000 1.2881055 4 Na 1.1143251 0.0178073 0.0207300 0.0080485 1.0783438 -0.0734312 0.0414980 -0.0745846 0.9836590 5 Na 1.1179875 0.0114214 0.0205497 0.0052794 1.0716728 -0.0734180 0.0440918 -0.0728071 0.9955374 6 Na 1.0760198 0.0189507 -0.0738567 0.0128086 1.1136405 0.0189124 -0.0850987 -0.0017811 0.9955374 7 Na 1.0985350 -0.0171649 0.0532282 -0.0269238 1.0941339 0.0546683 0.0438432 0.0732307 0.9836590 8 Na 0.9940583 -0.0282967 -0.0000000 0.0282967 0.9940583 -0.0000000 0.0000000 0.0000000 1.2385261 9 Na 1.1179875 0.0114214 -0.0205497 0.0052794 1.0716728 0.0734180 -0.0440918 0.0728071 0.9955374 10 Na 1.0761432 0.0139958 0.0739583 0.0042370 1.1165257 -0.0187629 0.0853412 -0.0013540 0.9836590 11 Na 1.0761432 0.0139958 -0.0739583 0.0042370 1.1165257 0.0187629 -0.0853412 0.0013540 0.9836590 12 Na 1.0760198 0.0189507 0.0738567 0.0128086 1.1136405 -0.0189124 0.0850987 0.0017811 0.9955374 13 Na 1.1143251 0.0178073 -0.0207300 0.0080485 1.0783438 0.0734312 -0.0414980 0.0745846 0.9836590 14 Na 1.0713104 -0.0285731 -0.0000000 0.0285731 1.0713104 -0.0000000 0.0000000 0.0000000 1.2881055 15 Na 0.9940583 -0.0282967 -0.0000000 0.0282967 0.9940583 -0.0000000 0.0000000 0.0000000 1.2385261 16 Na 1.0805178 -0.0077284 -0.0000000 0.0077284 1.0805178 -0.0000000 0.0000000 0.0000000 1.1148230 17 Na 1.0985350 -0.0171649 -0.0532282 -0.0269238 1.0941339 -0.0546683 -0.0438432 -0.0732307 0.9836590 18 Na 1.0805178 -0.0077284 -0.0000000 0.0077284 1.0805178 -0.0000000 0.0000000 0.0000000 1.1148230 19 Tm 3.8666286 -0.3320549 -0.0000000 0.3320549 3.8666286 -0.0000000 0.0000000 0.0000000 3.6450899 20 Tm 3.2053238 -0.1607472 -0.0000000 0.1607472 3.2053238 -0.0000000 0.0000000 0.0000000 4.0272465 21 Tm 3.2053238 -0.1607472 -0.0000000 0.1607472 3.2053238 -0.0000000 0.0000000 0.0000000 4.0272465 22 Tm 3.9267337 -0.3230516 -0.0000000 0.3230516 3.9267337 -0.0000000 0.0000000 0.0000000 3.5430672 23 Tm 3.8666286 -0.3320549 -0.0000000 0.3320549 3.8666286 -0.0000000 0.0000000 0.0000000 3.6450899 24 Tm 3.9267337 -0.3230516 -0.0000000 0.3230516 3.9267337 -0.0000000 0.0000000 0.0000000 3.5430672 25 Si 2.8926113 0.1121600 0.3222396 -0.2458200 2.9326060 0.2868708 0.4072485 -0.0440359 3.1295465 26 Si 2.9672713 0.1589726 -0.0759123 -0.1791463 2.8609319 0.4159798 0.2365969 0.3382677 3.0650147 27 Si 2.8962522 0.2201492 -0.3982052 -0.1179697 2.9319510 0.1422479 -0.1746500 0.3740327 3.0650147 28 Si 2.9804838 0.1950868 -0.0873176 -0.1628933 2.8447335 0.4225031 0.2417604 0.3306696 3.1295465 29 Si 2.8962522 0.2201492 0.3982052 -0.1179697 2.9319510 -0.1422479 0.1746500 -0.3740327 3.0650147 30 Si 2.8787813 0.1280565 0.3222929 -0.2100624 2.9494219 0.2737319 0.4112468 -0.0357651 3.0650147 31 Si 2.8647308 0.2297232 -0.4095572 -0.1282568 2.9604864 0.1356323 -0.1654880 0.3747055 3.1295465 32 Si 2.8926113 0.1121600 -0.3222396 -0.2458200 2.9326060 -0.2868708 -0.4072485 0.0440359 3.1295465 33 Si 2.8787813 0.1280565 -0.3222929 -0.2100624 2.9494219 -0.2737319 -0.4112468 0.0357651 3.0650147 34 Si 2.8647308 0.2297232 0.4095572 -0.1282568 2.9604864 -0.1356323 0.1654880 -0.3747055 3.1295465 35 Si 2.9672713 0.1589726 0.0759123 -0.1791463 2.8609319 -0.4159798 -0.2365969 -0.3382677 3.0650147 36 Si 2.9804838 0.1950868 0.0873176 -0.1628933 2.8447335 -0.4225031 -0.2417604 -0.3306696 3.1295465 37 O -1.4540209 -0.4676366 0.2597457 -0.4422223 -2.2721514 0.3718484 0.3117736 0.3687887 -1.6455701 38 O -1.6632825 0.4639124 0.4544819 0.4642625 -2.1386358 -0.7189049 0.4433597 -0.7563848 -1.8744981 39 O -2.4217090 -0.0263848 -0.8498309 -0.0260346 -1.3802093 -0.0341404 -0.8767283 -0.0057684 -1.8744981 40 O -2.4217090 -0.0263848 0.8498309 -0.0260346 -1.3802093 0.0341404 0.8767283 0.0057684 -1.8744981 41 O -1.1838763 -0.1769913 -0.0150206 -0.1000726 -1.3390477 -0.0260419 -0.0175979 -0.0207586 -2.8085118 42 O -1.6260422 -0.4271995 0.3936360 -0.4219809 -2.1642178 0.7674803 0.4419994 0.7814257 -1.8572948 43 O -1.6736383 0.5690185 0.1921573 0.5944328 -2.0525340 -0.4108706 0.1634936 -0.4543982 -1.6455701 44 O -2.4615992 -0.1395033 -0.4519031 -0.1140891 -1.2645730 0.0390222 -0.4752672 0.0856095 -1.6455701 45 O -1.6136144 -0.5456273 -0.2763729 -0.5532713 -2.3223575 -0.5153438 -0.2982290 -0.5622081 -1.6378105 46 O -1.1838763 -0.1769913 0.0150206 -0.1000726 -1.3390477 0.0260419 0.0175979 0.0207586 -2.8085118 47 O -1.6693347 0.5854414 0.3081143 0.5777974 -2.2666372 -0.4970179 0.3377720 -0.5393780 -1.6378105 48 O -1.6723776 0.6042249 -0.3096368 0.5950538 -2.2840172 0.4986576 -0.3440656 0.5605395 -1.6487050 49 O -1.6764447 0.5628094 -0.1939914 0.5967546 -2.0553787 0.4227836 -0.1631253 0.4663171 -1.6536536 50 O -1.6118044 -0.5600818 -0.2770317 -0.5692529 -2.3445904 -0.5174821 -0.3134086 -0.5782393 -1.6487050 51 O -1.4540209 -0.4676366 -0.2597457 -0.4422223 -2.2721514 -0.3718484 -0.3117736 -0.3687887 -1.6455701 52 O -2.3973798 -0.0233511 -0.8614754 -0.0181324 -1.3928802 -0.0428414 -0.8977342 -0.0079301 -1.8572948 53 O -2.6210088 -0.0283481 -0.5844873 -0.0359922 -1.3149632 -0.0183259 -0.6360010 -0.0228301 -1.6378105 54 O -1.1802827 0.0979978 -0.0150426 0.1749165 -1.3426414 0.0260292 -0.0091785 0.0256196 -2.8085118 55 O -2.6504102 -0.0303864 0.5866685 -0.0395575 -1.3059846 0.0188245 0.6574743 0.0176998 -1.6487050 56 O -1.6619680 0.4427226 0.4678394 0.4479413 -2.1282920 -0.7246389 0.4557348 -0.7734956 -1.8572948 57 O -2.4627511 -0.1427803 0.4631370 -0.1088351 -1.2690723 -0.0433903 0.4854051 -0.0918879 -1.6536536 58 O -1.4202271 -0.0363846 0.0300632 0.0405341 -1.1026970 0.0000127 0.0267765 -0.0048609 -2.8085118 59 O -2.6210088 -0.0283481 0.5844873 -0.0359922 -1.3149632 0.0183259 0.6360010 0.0228301 -1.6378105 60 O -1.4585393 -0.4709469 0.2691456 -0.4370016 -2.2732841 0.3793932 0.3222798 0.3744292 -1.6536536 61 O -1.6260422 -0.4271995 -0.3936360 -0.4219809 -2.1642178 -0.7674803 -0.4419994 -0.7814257 -1.8572948 62 O -1.6178860 -0.4380528 -0.3953490 -0.4377026 -2.1840324 -0.7530454 -0.4333686 -0.7621532 -1.8744981 63 O -2.6504102 -0.0303864 -0.5866685 -0.0395575 -1.3059846 -0.0188245 -0.6574743 -0.0176998 -1.6487050 64 O -1.6693347 0.5854414 -0.3081143 0.5777974 -2.2666372 0.4970179 -0.3377720 0.5393780 -1.6378105 65 O -1.6736383 0.5690185 -0.1921573 0.5944328 -2.0525340 0.4108706 -0.1634936 0.4543982 -1.6455701 66 O -1.6178860 -0.4380528 0.3953490 -0.4377026 -2.1840324 0.7530454 0.4333686 0.7621532 -1.8744981 67 O -1.6136144 -0.5456273 0.2763729 -0.5532713 -2.3223575 0.5153438 0.2982290 0.5622081 -1.6378105 68 O -2.3973798 -0.0233511 0.8614754 -0.0181324 -1.3928802 0.0428414 0.8977342 0.0079301 -1.8572948 69 O -1.6619680 0.4427226 -0.4678394 0.4479413 -2.1282920 0.7246389 -0.4557348 0.7734956 -1.8572948 70 O -2.4627511 -0.1427803 -0.4631370 -0.1088351 -1.2690723 0.0433903 -0.4854051 0.0918879 -1.6536536 71 O -1.1802827 0.0979978 0.0150426 0.1749165 -1.3426414 -0.0260292 0.0091785 -0.0256196 -2.8085118 72 O -1.6632825 0.4639124 -0.4544819 0.4642625 -2.1386358 0.7189049 -0.4433597 0.7563848 -1.8744981 73 O -1.6118044 -0.5600818 0.2770317 -0.5692529 -2.3445904 0.5174821 0.3134086 0.5782393 -1.6487050 74 O -1.6764447 0.5628094 0.1939914 0.5967546 -2.0553787 -0.4227836 0.1631253 -0.4663171 -1.6536536 75 O -1.6723776 0.6042249 0.3096368 0.5950538 -2.2840172 -0.4986576 0.3440656 -0.5605395 -1.6487050 76 O -1.4202271 -0.0363846 -0.0300632 0.0405341 -1.1026970 -0.0000127 -0.0267765 0.0048609 -2.8085118 77 O -2.4615992 -0.1395033 0.4519031 -0.1140891 -1.2645730 -0.0390222 0.4752672 -0.0856095 -1.6455701 78 O -1.4585393 -0.4709469 -0.2691456 -0.4370016 -2.2732841 -0.3793932 -0.3222798 -0.3744292 -1.6536536 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 4, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 8, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 16, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 19, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 20, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 22, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 26, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 38, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 42, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 45, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 48, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:03:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:03:15]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3 (173) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.371162560020085 0.000000000000000 0.000000000000000 b -4.685581280010043 8.115664839971007 0.000000000000000 c 0.000000000000000 0.000000000000000 13.690615520000000 Atomic positions (fractional): 1 Na 0.31741156847596 0.33173501555397 0.39372852488402 22.990 2 Na 0.68258843152404 0.66826498444603 0.89372852488402 22.990 3 Na 0.00000000000000 0.00000000000000 0.48191621821113 22.990 4 Na 0.98366733868926 0.31531509072868 0.57131095944208 22.990 5 Na 0.01432344707801 0.68258843152404 0.39372852488402 22.990 6 Na 0.66826498444603 0.98567655292199 0.39372852488402 22.990 7 Na 0.68468490927132 0.66835224796058 0.57131095944208 22.990 8 Na 0.33333333333333 0.66666666666667 0.23118108589746 22.990 9 Na 0.98567655292199 0.31741156847596 0.89372852488402 22.990 10 Na 0.66835224796058 0.98366733868926 0.07131095944208 22.990 11 Na 0.33164775203942 0.01633266131074 0.57131095944208 22.990 12 Na 0.33173501555397 0.01432344707801 0.89372852488402 22.990 13 Na 0.01633266131074 0.68468490927132 0.07131095944208 22.990 14 Na 0.00000000000000 0.00000000000000 0.98191621821113 22.990 15 Na 0.66666666666667 0.33333333333333 0.73118108589746 22.990 16 Na 0.33333333333333 0.66666666666667 0.70557991594554 22.990 17 Na 0.31531509072868 0.33164775203942 0.07131095944208 22.990 18 Na 0.66666666666667 0.33333333333333 0.20557991594554 22.990 19 Tm 0.33333333333333 0.66666666666667 0.46141905102999 168.934 20 Tm 0.00000000000000 0.00000000000000 0.23224059795695 168.934 21 Tm 0.00000000000000 0.00000000000000 0.73224059795695 168.934 22 Tm 0.33333333333333 0.66666666666667 0.99988467656394 168.934 23 Tm 0.66666666666667 0.33333333333333 0.96141905102999 168.934 24 Tm 0.66666666666667 0.33333333333333 0.49988467656394 168.934 25 Si 0.34641228270677 0.01859550523730 0.34231163356625 28.085 26 Si 0.67173797307112 0.65309841455080 0.12310769793406 28.085 27 Si 0.01863955852032 0.67173797307112 0.62310769793406 28.085 28 Si 0.32781677746947 0.34641228270677 0.84231163356625 28.085 29 Si 0.98136044147968 0.32826202692888 0.12310769793406 28.085 30 Si 0.65309841455080 0.98136044147968 0.62310769793406 28.085 31 Si 0.98140449476270 0.32781677746947 0.34231163356625 28.085 32 Si 0.65358771729323 0.98140449476270 0.84231163356625 28.085 33 Si 0.34690158544920 0.01863955852032 0.12310769793406 28.085 34 Si 0.01859550523730 0.67218322253053 0.84231163356625 28.085 35 Si 0.32826202692888 0.34690158544920 0.62310769793406 28.085 36 Si 0.67218322253053 0.65358771729323 0.34231163356625 28.085 37 O 0.19529325732258 0.15007690369108 0.62277878560860 15.999 38 O 0.72837317607974 0.55399469359376 0.04829780173003 15.999 39 O 0.82562151751402 0.27162682392026 0.04829780173003 15.999 40 O 0.17437848248598 0.72837317607974 0.54829780173003 15.999 41 O 0.57687125050064 0.89825481887255 0.73287683683915 15.999 42 O 0.56047902146198 0.83001958360452 0.92019504848210 15.999 43 O 0.95478364636850 0.80470674267742 0.62277878560860 15.999 44 O 0.84992309630892 0.04521635363150 0.62277878560860 15.999 45 O 0.87173848864925 0.48465419944626 0.60172586524090 15.999 46 O 0.42312874949937 0.10174518112745 0.23287683683915 15.999 47 O 0.38708428920299 0.87173848864925 0.10172586524090 15.999 48 O 0.38824960050113 0.87238991668111 0.36252405230220 15.999 49 O 0.95136619930633 0.80276537795873 0.84073558876892 15.999 50 O 0.12761008331889 0.51585968382002 0.36252405230220 15.999 51 O 0.80470674267742 0.84992309630892 0.12277878560860 15.999 52 O 0.16998041639548 0.73045943785745 0.92019504848210 15.999 53 O 0.48465419944626 0.61291571079701 0.10172586524090 15.999 54 O 0.32138356837192 0.42312874949937 0.73287683683915 15.999 55 O 0.48414031617998 0.61175039949887 0.36252405230220 15.999 56 O 0.26954056214255 0.43952097853803 0.92019504848210 15.999 57 O 0.85139917865240 0.04863380069367 0.84073558876892 15.999 58 O 0.10174518112745 0.67861643162809 0.73287683683915 15.999 59 O 0.51534580055374 0.38708428920299 0.60172586524090 15.999 60 O 0.80276537795873 0.85139917865240 0.34073558876892 15.999 61 O 0.43952097853803 0.16998041639548 0.42019504848210 15.999 62 O 0.55399469359376 0.82562151751402 0.54829780173003 15.999 63 O 0.51585968382002 0.38824960050113 0.86252405230220 15.999 64 O 0.61291571079701 0.12826151135075 0.60172586524090 15.999 65 O 0.04521635363150 0.19529325732258 0.12277878560860 15.999 66 O 0.44600530640624 0.17437848248598 0.04829780173003 15.999 67 O 0.12826151135075 0.51534580055374 0.10172586524090 15.999 68 O 0.83001958360452 0.26954056214255 0.42019504848210 15.999 69 O 0.73045943785745 0.56047902146198 0.42019504848210 15.999 70 O 0.14860082134760 0.95136619930633 0.34073558876892 15.999 71 O 0.67861643162809 0.57687125050064 0.23287683683915 15.999 72 O 0.27162682392026 0.44600530640624 0.54829780173003 15.999 73 O 0.87238991668111 0.48414031617998 0.86252405230220 15.999 74 O 0.04863380069367 0.19723462204127 0.34073558876892 15.999 75 O 0.61175039949887 0.12761008331889 0.86252405230220 15.999 76 O 0.89825481887255 0.32138356837192 0.23287683683915 15.999 77 O 0.15007690369108 0.95478364636850 0.12277878560860 15.999 78 O 0.19723462204127 0.14860082134760 0.84073558876892 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.371162560020085 0.000000000000000 0.000000000000000 b -4.685581280010043 8.115664839971007 0.000000000000000 c 0.000000000000000 0.000000000000000 13.690615520000000 Atomic positions (fractional): 1 Na 0.31741156847596 0.33173501555397 0.39372852488402 22.990 > 1 2 Na 0.68258843152404 0.66826498444603 0.89372852488402 22.990 > 2 3 Na 0.00000000000000 0.00000000000000 0.48191621821113 22.990 > 3 4 Na 0.98366733868926 0.31531509072868 0.57131095944208 22.990 > 4 5 Na 0.01432344707801 0.68258843152404 0.39372852488402 22.990 > 5 6 Na 0.66826498444603 0.98567655292199 0.39372852488402 22.990 > 6 7 Na 0.68468490927132 0.66835224796058 0.57131095944208 22.990 > 7 8 Na 0.33333333333333 0.66666666666667 0.23118108589746 22.990 > 8 9 Na 0.98567655292199 0.31741156847596 0.89372852488402 22.990 > 9 10 Na 0.66835224796058 0.98366733868926 0.07131095944208 22.990 > 10 11 Na 0.33164775203942 0.01633266131074 0.57131095944208 22.990 > 11 12 Na 0.33173501555397 0.01432344707801 0.89372852488402 22.990 > 12 13 Na 0.01633266131074 0.68468490927132 0.07131095944208 22.990 > 13 14 Na 0.00000000000000 0.00000000000000 0.98191621821113 22.990 > 14 15 Na 0.66666666666667 0.33333333333333 0.73118108589746 22.990 > 15 16 Na 0.33333333333333 0.66666666666667 0.70557991594554 22.990 > 16 17 Na 0.31531509072868 0.33164775203942 0.07131095944208 22.990 > 17 18 Na 0.66666666666667 0.33333333333333 0.20557991594554 22.990 > 18 19 Tm 0.33333333333333 0.66666666666667 0.46141905102999 168.934 > 19 20 Tm 0.00000000000000 0.00000000000000 0.23224059795695 168.934 > 20 21 Tm 0.00000000000000 0.00000000000000 0.73224059795695 168.934 > 21 22 Tm 0.33333333333333 0.66666666666667 0.99988467656394 168.934 > 22 23 Tm 0.66666666666667 0.33333333333333 0.96141905102999 168.934 > 23 24 Tm 0.66666666666667 0.33333333333333 0.49988467656394 168.934 > 24 25 Si 0.34641228270677 0.01859550523730 0.34231163356625 28.085 > 25 26 Si 0.67173797307112 0.65309841455080 0.12310769793406 28.085 > 26 27 Si 0.01863955852032 0.67173797307112 0.62310769793406 28.085 > 27 28 Si 0.32781677746947 0.34641228270677 0.84231163356625 28.085 > 28 29 Si 0.98136044147968 0.32826202692888 0.12310769793406 28.085 > 29 30 Si 0.65309841455080 0.98136044147968 0.62310769793406 28.085 > 30 31 Si 0.98140449476270 0.32781677746947 0.34231163356625 28.085 > 31 32 Si 0.65358771729323 0.98140449476270 0.84231163356625 28.085 > 32 33 Si 0.34690158544920 0.01863955852032 0.12310769793406 28.085 > 33 34 Si 0.01859550523730 0.67218322253053 0.84231163356625 28.085 > 34 35 Si 0.32826202692888 0.34690158544920 0.62310769793406 28.085 > 35 36 Si 0.67218322253053 0.65358771729323 0.34231163356625 28.085 > 36 37 O 0.19529325732258 0.15007690369108 0.62277878560860 15.999 > 37 38 O 0.72837317607974 0.55399469359376 0.04829780173003 15.999 > 38 39 O 0.82562151751402 0.27162682392026 0.04829780173003 15.999 > 39 40 O 0.17437848248598 0.72837317607974 0.54829780173003 15.999 > 40 41 O 0.57687125050064 0.89825481887255 0.73287683683915 15.999 > 41 42 O 0.56047902146198 0.83001958360452 0.92019504848210 15.999 > 42 43 O 0.95478364636850 0.80470674267742 0.62277878560860 15.999 > 43 44 O 0.84992309630892 0.04521635363150 0.62277878560860 15.999 > 44 45 O 0.87173848864925 0.48465419944626 0.60172586524090 15.999 > 45 46 O 0.42312874949937 0.10174518112745 0.23287683683915 15.999 > 46 47 O 0.38708428920299 0.87173848864925 0.10172586524090 15.999 > 47 48 O 0.38824960050113 0.87238991668111 0.36252405230220 15.999 > 48 49 O 0.95136619930633 0.80276537795873 0.84073558876892 15.999 > 49 50 O 0.12761008331889 0.51585968382002 0.36252405230220 15.999 > 50 51 O 0.80470674267742 0.84992309630892 0.12277878560860 15.999 > 51 52 O 0.16998041639548 0.73045943785745 0.92019504848210 15.999 > 52 53 O 0.48465419944626 0.61291571079701 0.10172586524090 15.999 > 53 54 O 0.32138356837192 0.42312874949937 0.73287683683915 15.999 > 54 55 O 0.48414031617998 0.61175039949887 0.36252405230220 15.999 > 55 56 O 0.26954056214255 0.43952097853803 0.92019504848210 15.999 > 56 57 O 0.85139917865240 0.04863380069367 0.84073558876892 15.999 > 57 58 O 0.10174518112745 0.67861643162809 0.73287683683915 15.999 > 58 59 O 0.51534580055374 0.38708428920299 0.60172586524090 15.999 > 59 60 O 0.80276537795873 0.85139917865240 0.34073558876892 15.999 > 60 61 O 0.43952097853803 0.16998041639548 0.42019504848210 15.999 > 61 62 O 0.55399469359376 0.82562151751402 0.54829780173003 15.999 > 62 63 O 0.51585968382002 0.38824960050113 0.86252405230220 15.999 > 63 64 O 0.61291571079701 0.12826151135075 0.60172586524090 15.999 > 64 65 O 0.04521635363150 0.19529325732258 0.12277878560860 15.999 > 65 66 O 0.44600530640624 0.17437848248598 0.04829780173003 15.999 > 66 67 O 0.12826151135075 0.51534580055374 0.10172586524090 15.999 > 67 68 O 0.83001958360452 0.26954056214255 0.42019504848210 15.999 > 68 69 O 0.73045943785745 0.56047902146198 0.42019504848210 15.999 > 69 70 O 0.14860082134760 0.95136619930633 0.34073558876892 15.999 > 70 71 O 0.67861643162809 0.57687125050064 0.23287683683915 15.999 > 71 72 O 0.27162682392026 0.44600530640624 0.54829780173003 15.999 > 72 73 O 0.87238991668111 0.48414031617998 0.86252405230220 15.999 > 73 74 O 0.04863380069367 0.19723462204127 0.34073558876892 15.999 > 74 75 O 0.61175039949887 0.12761008331889 0.86252405230220 15.999 > 75 76 O 0.89825481887255 0.32138356837192 0.23287683683915 15.999 > 76 77 O 0.15007690369108 0.95478364636850 0.12277878560860 15.999 > 77 78 O 0.19723462204127 0.14860082134760 0.84073558876892 15.999 > 78 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7189357 0.0000007 0.0000000 -0.0000007 2.7189357 0.0000000 0.0000000 0.0000000 2.7652842 -------------------------- Born effective charges -------------------------- 1 Na 1.0904832 -0.0211590 0.0533070 -0.0273011 1.0991772 0.0545056 0.0410069 0.0745882 0.9955374 2 Na 1.0904832 -0.0211590 -0.0533070 -0.0273011 1.0991772 -0.0545056 -0.0410069 -0.0745882 0.9955374 3 Na 1.0713104 -0.0285731 -0.0000000 0.0285731 1.0713104 -0.0000000 0.0000000 0.0000000 1.2881055 4 Na 1.1143251 0.0178073 0.0207300 0.0080485 1.0783438 -0.0734312 0.0414980 -0.0745846 0.9836590 5 Na 1.1179875 0.0114214 0.0205497 0.0052794 1.0716728 -0.0734180 0.0440918 -0.0728071 0.9955374 6 Na 1.0760198 0.0189507 -0.0738567 0.0128086 1.1136405 0.0189124 -0.0850987 -0.0017811 0.9955374 7 Na 1.0985350 -0.0171649 0.0532282 -0.0269238 1.0941339 0.0546683 0.0438432 0.0732307 0.9836590 8 Na 0.9940583 -0.0282967 -0.0000000 0.0282967 0.9940583 -0.0000000 0.0000000 0.0000000 1.2385261 9 Na 1.1179875 0.0114214 -0.0205497 0.0052794 1.0716728 0.0734180 -0.0440918 0.0728071 0.9955374 10 Na 1.0761432 0.0139958 0.0739583 0.0042370 1.1165257 -0.0187629 0.0853412 -0.0013540 0.9836590 11 Na 1.0761432 0.0139958 -0.0739583 0.0042370 1.1165257 0.0187629 -0.0853412 0.0013540 0.9836590 12 Na 1.0760198 0.0189507 0.0738567 0.0128086 1.1136405 -0.0189124 0.0850987 0.0017811 0.9955374 13 Na 1.1143251 0.0178073 -0.0207300 0.0080485 1.0783438 0.0734312 -0.0414980 0.0745846 0.9836590 14 Na 1.0713104 -0.0285731 -0.0000000 0.0285731 1.0713104 -0.0000000 0.0000000 0.0000000 1.2881055 15 Na 0.9940583 -0.0282967 -0.0000000 0.0282967 0.9940583 -0.0000000 0.0000000 0.0000000 1.2385261 16 Na 1.0805178 -0.0077284 -0.0000000 0.0077284 1.0805178 -0.0000000 0.0000000 0.0000000 1.1148230 17 Na 1.0985350 -0.0171649 -0.0532282 -0.0269238 1.0941339 -0.0546683 -0.0438432 -0.0732307 0.9836590 18 Na 1.0805178 -0.0077284 -0.0000000 0.0077284 1.0805178 -0.0000000 0.0000000 0.0000000 1.1148230 19 Tm 3.8666286 -0.3320549 -0.0000000 0.3320549 3.8666286 -0.0000000 0.0000000 0.0000000 3.6450899 20 Tm 3.2053238 -0.1607472 -0.0000000 0.1607472 3.2053238 -0.0000000 0.0000000 0.0000000 4.0272465 21 Tm 3.2053238 -0.1607472 -0.0000000 0.1607472 3.2053238 -0.0000000 0.0000000 0.0000000 4.0272465 22 Tm 3.9267337 -0.3230516 -0.0000000 0.3230516 3.9267337 -0.0000000 0.0000000 0.0000000 3.5430672 23 Tm 3.8666286 -0.3320549 -0.0000000 0.3320549 3.8666286 -0.0000000 0.0000000 0.0000000 3.6450899 24 Tm 3.9267337 -0.3230516 -0.0000000 0.3230516 3.9267337 -0.0000000 0.0000000 0.0000000 3.5430672 25 Si 2.8926113 0.1121600 0.3222396 -0.2458200 2.9326060 0.2868708 0.4072485 -0.0440359 3.1295465 26 Si 2.9672713 0.1589726 -0.0759123 -0.1791463 2.8609319 0.4159798 0.2365969 0.3382677 3.0650147 27 Si 2.8962522 0.2201492 -0.3982052 -0.1179697 2.9319510 0.1422479 -0.1746500 0.3740327 3.0650147 28 Si 2.9804838 0.1950868 -0.0873176 -0.1628933 2.8447335 0.4225031 0.2417604 0.3306696 3.1295465 29 Si 2.8962522 0.2201492 0.3982052 -0.1179697 2.9319510 -0.1422479 0.1746500 -0.3740327 3.0650147 30 Si 2.8787813 0.1280565 0.3222929 -0.2100624 2.9494219 0.2737319 0.4112468 -0.0357651 3.0650147 31 Si 2.8647308 0.2297232 -0.4095572 -0.1282568 2.9604864 0.1356323 -0.1654880 0.3747055 3.1295465 32 Si 2.8926113 0.1121600 -0.3222396 -0.2458200 2.9326060 -0.2868708 -0.4072485 0.0440359 3.1295465 33 Si 2.8787813 0.1280565 -0.3222929 -0.2100624 2.9494219 -0.2737319 -0.4112468 0.0357651 3.0650147 34 Si 2.8647308 0.2297232 0.4095572 -0.1282568 2.9604864 -0.1356323 0.1654880 -0.3747055 3.1295465 35 Si 2.9672713 0.1589726 0.0759123 -0.1791463 2.8609319 -0.4159798 -0.2365969 -0.3382677 3.0650147 36 Si 2.9804838 0.1950868 0.0873176 -0.1628933 2.8447335 -0.4225031 -0.2417604 -0.3306696 3.1295465 37 O -1.4540209 -0.4676366 0.2597457 -0.4422223 -2.2721514 0.3718484 0.3117736 0.3687887 -1.6455701 38 O -1.6632825 0.4639124 0.4544819 0.4642625 -2.1386358 -0.7189049 0.4433597 -0.7563848 -1.8744981 39 O -2.4217090 -0.0263848 -0.8498309 -0.0260346 -1.3802093 -0.0341404 -0.8767283 -0.0057684 -1.8744981 40 O -2.4217090 -0.0263848 0.8498309 -0.0260346 -1.3802093 0.0341404 0.8767283 0.0057684 -1.8744981 41 O -1.1838763 -0.1769913 -0.0150206 -0.1000726 -1.3390477 -0.0260419 -0.0175979 -0.0207586 -2.8085118 42 O -1.6260422 -0.4271995 0.3936360 -0.4219809 -2.1642178 0.7674803 0.4419994 0.7814257 -1.8572948 43 O -1.6736383 0.5690185 0.1921573 0.5944328 -2.0525340 -0.4108706 0.1634936 -0.4543982 -1.6455701 44 O -2.4615992 -0.1395033 -0.4519031 -0.1140891 -1.2645730 0.0390222 -0.4752672 0.0856095 -1.6455701 45 O -1.6136144 -0.5456273 -0.2763729 -0.5532713 -2.3223575 -0.5153438 -0.2982290 -0.5622081 -1.6378105 46 O -1.1838763 -0.1769913 0.0150206 -0.1000726 -1.3390477 0.0260419 0.0175979 0.0207586 -2.8085118 47 O -1.6693347 0.5854414 0.3081143 0.5777974 -2.2666372 -0.4970179 0.3377720 -0.5393780 -1.6378105 48 O -1.6723776 0.6042249 -0.3096368 0.5950538 -2.2840172 0.4986576 -0.3440656 0.5605395 -1.6487050 49 O -1.6764447 0.5628094 -0.1939914 0.5967546 -2.0553787 0.4227836 -0.1631253 0.4663171 -1.6536536 50 O -1.6118044 -0.5600818 -0.2770317 -0.5692529 -2.3445904 -0.5174821 -0.3134086 -0.5782393 -1.6487050 51 O -1.4540209 -0.4676366 -0.2597457 -0.4422223 -2.2721514 -0.3718484 -0.3117736 -0.3687887 -1.6455701 52 O -2.3973798 -0.0233511 -0.8614754 -0.0181324 -1.3928802 -0.0428414 -0.8977342 -0.0079301 -1.8572948 53 O -2.6210088 -0.0283481 -0.5844873 -0.0359922 -1.3149632 -0.0183259 -0.6360010 -0.0228301 -1.6378105 54 O -1.1802827 0.0979978 -0.0150426 0.1749165 -1.3426414 0.0260292 -0.0091785 0.0256196 -2.8085118 55 O -2.6504102 -0.0303864 0.5866685 -0.0395575 -1.3059846 0.0188245 0.6574743 0.0176998 -1.6487050 56 O -1.6619680 0.4427226 0.4678394 0.4479413 -2.1282920 -0.7246389 0.4557348 -0.7734956 -1.8572948 57 O -2.4627511 -0.1427803 0.4631370 -0.1088351 -1.2690723 -0.0433903 0.4854051 -0.0918879 -1.6536536 58 O -1.4202271 -0.0363846 0.0300632 0.0405341 -1.1026970 0.0000127 0.0267765 -0.0048609 -2.8085118 59 O -2.6210088 -0.0283481 0.5844873 -0.0359922 -1.3149632 0.0183259 0.6360010 0.0228301 -1.6378105 60 O -1.4585393 -0.4709469 0.2691456 -0.4370016 -2.2732841 0.3793932 0.3222798 0.3744292 -1.6536536 61 O -1.6260422 -0.4271995 -0.3936360 -0.4219809 -2.1642178 -0.7674803 -0.4419994 -0.7814257 -1.8572948 62 O -1.6178860 -0.4380528 -0.3953490 -0.4377026 -2.1840324 -0.7530454 -0.4333686 -0.7621532 -1.8744981 63 O -2.6504102 -0.0303864 -0.5866685 -0.0395575 -1.3059846 -0.0188245 -0.6574743 -0.0176998 -1.6487050 64 O -1.6693347 0.5854414 -0.3081143 0.5777974 -2.2666372 0.4970179 -0.3377720 0.5393780 -1.6378105 65 O -1.6736383 0.5690185 -0.1921573 0.5944328 -2.0525340 0.4108706 -0.1634936 0.4543982 -1.6455701 66 O -1.6178860 -0.4380528 0.3953490 -0.4377026 -2.1840324 0.7530454 0.4333686 0.7621532 -1.8744981 67 O -1.6136144 -0.5456273 0.2763729 -0.5532713 -2.3223575 0.5153438 0.2982290 0.5622081 -1.6378105 68 O -2.3973798 -0.0233511 0.8614754 -0.0181324 -1.3928802 0.0428414 0.8977342 0.0079301 -1.8572948 69 O -1.6619680 0.4427226 -0.4678394 0.4479413 -2.1282920 0.7246389 -0.4557348 0.7734956 -1.8572948 70 O -2.4627511 -0.1427803 -0.4631370 -0.1088351 -1.2690723 0.0433903 -0.4854051 0.0918879 -1.6536536 71 O -1.1802827 0.0979978 0.0150426 0.1749165 -1.3426414 -0.0260292 0.0091785 -0.0256196 -2.8085118 72 O -1.6632825 0.4639124 -0.4544819 0.4642625 -2.1386358 0.7189049 -0.4433597 0.7563848 -1.8744981 73 O -1.6118044 -0.5600818 0.2770317 -0.5692529 -2.3445904 0.5174821 0.3134086 0.5782393 -1.6487050 74 O -1.6764447 0.5628094 0.1939914 0.5967546 -2.0553787 -0.4227836 0.1631253 -0.4663171 -1.6536536 75 O -1.6723776 0.6042249 0.3096368 0.5950538 -2.2840172 -0.4986576 0.3440656 -0.5605395 -1.6487050 76 O -1.4202271 -0.0363846 -0.0300632 0.0405341 -1.1026970 -0.0000127 -0.0267765 0.0048609 -2.8085118 77 O -2.4615992 -0.1395033 0.4519031 -0.1140891 -1.2645730 -0.0390222 0.4752672 -0.0856095 -1.6455701 78 O -1.4585393 -0.4709469 -0.2691456 -0.4370016 -2.2732841 -0.3793932 -0.3222798 -0.3744292 -1.6536536 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 6 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.41, Number of G-points: 299, Lambda: 0.07 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/24) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.659 ( 0.000 -0.000 -0.000) 0.000 1.659 ( 0.000 0.000 0.000) 0.000 1.950 ( 0.000 0.000 0.000) 0.000 1.963 ( -0.000 0.000 0.000) 0.000 2.052 ( -0.000 0.000 -0.000) 0.000 2.052 ( 0.000 0.000 0.000) 0.000 2.083 ( 0.000 0.000 0.000) 0.000 2.083 ( 0.000 0.000 0.000) 0.000 2.634 ( 0.000 0.000 0.000) 0.000 2.634 ( -0.000 0.000 0.000) 0.000 2.688 ( -0.000 0.000 -0.000) 0.000 2.688 ( 0.000 -0.000 0.000) 0.000 2.749 ( 0.000 0.000 0.000) 0.000 2.844 ( 0.000 0.000 -0.000) 0.000 2.844 ( -0.000 0.000 0.000) 0.000 2.853 ( 0.000 0.000 0.000) 0.000 2.891 ( 0.000 -0.000 0.000) 0.000 2.891 ( 0.000 -0.000 0.000) 0.000 2.917 ( 0.000 0.000 -0.000) 0.000 3.246 ( 0.000 0.000 -0.000) 0.000 3.356 ( 0.000 0.000 -0.000) 0.000 3.425 ( 0.000 0.000 -0.000) 0.000 3.425 ( -0.000 0.000 0.000) 0.000 3.448 ( 0.000 0.000 0.000) 0.000 3.448 ( -0.000 0.000 0.000) 0.000 3.606 ( 0.000 0.000 0.000) 0.000 3.618 ( 0.000 0.000 0.000) 0.000 3.618 ( 0.000 -0.000 0.000) 0.000 3.884 ( 0.000 0.000 -0.000) 0.000 3.947 ( 0.000 -0.000 0.000) 0.000 3.991 ( 0.000 -0.000 0.000) 0.000 3.991 ( 0.000 0.000 0.000) 0.000 4.006 ( 0.000 -0.000 -0.000) 0.000 4.112 ( 0.000 -0.000 -0.000) 0.000 4.112 ( 0.000 -0.000 -0.000) 0.000 4.141 ( -0.000 0.000 0.000) 0.000 4.172 ( 0.000 0.000 0.000) 0.000 4.172 ( 0.000 0.000 0.000) 0.000 4.194 ( 0.000 0.000 0.000) 0.000 4.279 ( 0.000 0.000 0.000) 0.000 4.279 ( -0.000 0.000 -0.000) 0.000 4.349 ( 0.000 0.000 -0.000) 0.000 4.404 ( 0.000 0.000 0.000) 0.000 4.416 ( 0.000 0.000 0.000) 0.000 4.416 ( 0.000 0.000 -0.000) 0.000 4.421 ( 0.000 0.000 0.000) 0.000 4.421 ( 0.000 0.000 -0.000) 0.000 4.504 ( 0.000 -0.000 -0.000) 0.000 4.545 ( -0.000 -0.000 0.000) 0.000 4.691 ( -0.000 0.000 0.000) 0.000 4.691 ( 0.000 -0.000 -0.000) 0.000 4.769 ( -0.000 0.000 -0.000) 0.000 4.769 ( -0.000 -0.000 0.000) 0.000 4.884 ( 0.000 0.000 -0.000) 0.000 4.884 ( -0.000 -0.000 -0.000) 0.000 4.939 ( 0.000 0.000 -0.000) 0.000 4.939 ( 0.000 -0.000 0.000) 0.000 4.951 ( 0.000 0.000 0.000) 0.000 4.962 ( -0.000 -0.000 0.000) 0.000 5.091 ( 0.000 0.000 -0.000) 0.000 5.103 ( 0.000 0.000 -0.000) 0.000 5.383 ( 0.000 -0.000 -0.000) 0.000 5.383 ( -0.000 0.000 0.000) 0.000 5.487 ( -0.000 0.000 -0.000) 0.000 5.487 ( -0.000 0.000 0.000) 0.000 5.537 ( -0.000 -0.000 0.000) 0.000 5.537 ( -0.000 0.000 0.000) 0.000 5.668 ( -0.000 0.000 -0.000) 0.000 5.875 ( 0.000 -0.000 -0.000) 0.000 5.881 ( -0.000 0.000 0.000) 0.000 5.881 ( 0.000 0.000 0.000) 0.000 5.916 ( -0.000 0.000 -0.000) 0.000 5.916 ( -0.000 -0.000 0.000) 0.000 6.087 ( 0.000 -0.000 0.000) 0.000 6.129 ( -0.000 0.000 0.000) 0.000 6.224 ( 0.000 0.000 0.000) 0.000 6.224 ( 0.000 0.000 0.000) 0.000 6.236 ( 0.000 0.000 -0.000) 0.000 6.289 ( -0.000 0.000 -0.000) 0.000 6.289 ( 0.000 0.000 0.000) 0.000 6.349 ( -0.000 0.000 0.000) 0.000 6.349 ( 0.000 0.000 -0.000) 0.000 6.427 ( -0.000 0.000 0.000) 0.000 6.427 ( -0.000 0.000 0.000) 0.000 6.441 ( 0.000 0.000 0.000) 0.000 6.565 ( 0.000 0.000 0.000) 0.000 6.597 ( 0.000 0.000 -0.000) 0.000 6.720 ( 0.000 0.000 0.000) 0.000 6.720 ( 0.000 0.000 0.000) 0.000 6.802 ( 0.000 0.000 0.000) 0.000 6.817 ( -0.000 0.000 -0.000) 0.000 6.817 ( -0.000 0.000 0.000) 0.000 6.905 ( -0.000 0.000 -0.000) 0.000 6.905 ( 0.000 0.000 0.000) 0.000 6.930 ( 0.000 0.000 0.000) 0.000 7.215 ( 0.000 0.000 -0.000) 0.000 7.215 ( -0.000 0.000 -0.000) 0.000 7.216 ( 0.000 0.000 -0.000) 0.000 7.235 ( -0.000 0.000 0.000) 0.000 7.321 ( 0.000 0.000 0.000) 0.000 7.369 ( 0.000 0.000 -0.000) 0.000 7.406 ( 0.000 0.000 -0.000) 0.000 7.406 ( 0.000 0.000 0.000) 0.000 7.467 ( 0.000 0.000 0.000) 0.000 7.467 ( 0.000 0.000 0.000) 0.000 7.527 ( 0.000 0.000 0.000) 0.000 7.866 ( -0.000 -0.000 0.000) 0.000 7.866 ( -0.000 0.000 0.000) 0.000 7.958 ( -0.000 0.000 0.000) 0.000 7.958 ( -0.000 0.000 0.000) 0.000 8.065 ( 0.000 -0.000 0.000) 0.000 8.065 ( 0.000 0.000 0.000) 0.000 8.178 ( -0.000 0.000 -0.000) 0.000 8.178 ( 0.000 -0.000 0.000) 0.000 8.186 ( -0.000 0.000 -0.000) 0.000 8.217 ( -0.000 0.000 -0.000) 0.000 8.343 ( -0.000 0.000 0.000) 0.000 8.723 ( 0.000 0.000 0.000) 0.000 8.723 ( 0.000 0.000 0.000) 0.000 8.815 ( 0.000 0.000 0.000) 0.000 8.815 ( -0.000 0.000 0.000) 0.000 8.989 ( 0.000 0.000 0.000) 0.000 9.110 ( 0.000 0.000 0.000) 0.000 9.292 ( 0.000 -0.000 0.000) 0.000 9.292 ( 0.000 -0.000 -0.000) 0.000 9.530 ( -0.000 0.000 -0.000) 0.000 9.530 ( 0.000 0.000 0.000) 0.000 9.651 ( 0.000 -0.000 0.000) 0.000 9.651 ( 0.000 0.000 0.000) 0.000 9.816 ( 0.000 0.000 0.000) 0.000 9.924 ( -0.000 0.000 0.000) 0.000 9.924 ( -0.000 0.000 -0.000) 0.000 9.970 ( 0.000 0.000 0.000) 0.000 9.970 ( -0.000 0.000 0.000) 0.000 10.008 ( 0.000 0.000 0.000) 0.000 10.036 ( 0.000 0.000 0.000) 0.000 10.039 ( 0.000 -0.000 0.000) 0.000 10.039 ( 0.000 0.000 0.000) 0.000 10.337 ( 0.000 0.000 0.000) 0.000 10.373 ( -0.000 0.000 -0.000) 0.000 10.868 ( -0.000 -0.000 0.000) 0.000 11.160 ( 0.000 0.000 0.000) 0.000 11.160 ( -0.000 0.000 -0.000) 0.000 11.558 ( -0.000 0.000 -0.000) 0.000 11.558 ( 0.000 0.000 0.000) 0.000 11.613 ( -0.000 0.000 -0.000) 0.000 12.021 ( 0.000 0.000 -0.000) 0.000 12.663 ( -0.000 -0.000 0.000) 0.000 12.663 ( 0.000 -0.000 0.000) 0.000 12.692 ( -0.000 0.000 0.000) 0.000 13.373 ( -0.000 0.000 0.000) 0.000 13.373 ( 0.000 0.000 0.000) 0.000 13.492 ( 0.000 -0.000 0.000) 0.000 13.628 ( 0.000 0.000 0.000) 0.000 13.628 ( -0.000 0.000 -0.000) 0.000 13.642 ( 0.000 -0.000 0.000) 0.000 13.642 ( -0.000 0.000 0.000) 0.000 14.036 ( 0.000 0.000 0.000) 0.000 14.054 ( 0.000 0.000 0.000) 0.000 14.322 ( 0.000 0.000 0.000) 0.000 14.322 ( 0.000 -0.000 0.000) 0.000 14.386 ( 0.000 -0.000 0.000) 0.000 14.386 ( 0.000 0.000 0.000) 0.000 14.502 ( -0.000 -0.000 0.000) 0.000 14.510 ( 0.000 0.000 0.000) 0.000 14.706 ( 0.000 0.000 0.000) 0.000 14.706 ( -0.000 0.000 0.000) 0.000 14.795 ( -0.000 0.000 0.000) 0.000 15.050 ( 0.000 0.000 0.000) 0.000 15.050 ( -0.000 0.000 -0.000) 0.000 15.234 ( 0.000 0.000 0.000) 0.000 15.234 ( -0.000 0.000 0.000) 0.000 15.388 ( 0.000 0.000 0.000) 0.000 15.402 ( 0.000 0.000 -0.000) 0.000 15.432 ( 0.000 0.000 0.000) 0.000 15.432 ( -0.000 0.000 0.000) 0.000 15.804 ( 0.000 -0.000 -0.000) 0.000 16.137 ( 0.000 -0.000 -0.000) 0.000 16.137 ( 0.000 0.000 -0.000) 0.000 16.226 ( 0.000 0.000 -0.000) 0.000 16.226 ( 0.000 0.000 0.000) 0.000 16.383 ( 0.000 0.000 -0.000) 0.000 16.410 ( 0.000 -0.000 -0.000) 0.000 20.569 ( 0.000 -0.000 0.000) 0.000 20.569 ( 0.000 0.000 0.000) 0.000 20.609 ( 0.000 0.000 0.000) 0.000 20.609 ( 0.000 0.000 0.000) 0.000 20.993 ( 0.000 -0.000 0.000) 0.000 21.095 ( -0.000 0.000 0.000) 0.000 25.175 ( 0.000 -0.000 0.000) 0.000 25.175 ( 0.000 -0.000 0.000) 0.000 25.207 ( 0.000 0.000 0.000) 0.000 25.207 ( -0.000 0.000 0.000) 0.000 25.251 ( 0.000 0.000 0.000) 0.000 26.109 ( 0.000 0.000 0.000) 0.000 27.010 ( 0.000 0.000 0.000) 0.000 27.010 ( 0.000 -0.000 0.000) 0.000 27.018 ( -0.000 0.000 0.000) 0.000 27.018 ( 0.000 0.000 0.000) 0.000 27.253 ( 0.000 0.000 0.000) 0.000 27.253 ( 0.000 0.000 0.000) 0.000 27.268 ( 0.000 0.000 -0.000) 0.000 27.268 ( -0.000 -0.000 -0.000) 0.000 27.437 ( 0.000 0.000 0.000) 0.000 27.437 ( 0.000 0.000 0.000) 0.000 27.459 ( 0.000 0.000 0.000) 0.000 27.549 ( 0.000 0.000 -0.000) 0.000 27.549 ( -0.000 0.000 0.000) 0.000 27.567 ( -0.000 -0.000 -0.000) 0.000 27.709 ( 0.000 0.000 0.000) 0.000 27.727 ( 0.000 0.000 -0.000) 0.000 27.731 ( 0.000 0.000 0.000) 0.000 27.731 ( -0.000 0.000 -0.000) 0.000 27.741 ( -0.000 0.000 0.000) 0.000 27.741 ( 0.000 -0.000 0.000) 0.000 27.979 ( 0.000 0.000 0.000) 0.000 27.979 ( 0.000 0.000 -0.000) 0.000 28.023 ( 0.000 0.000 -0.000) 0.000 28.023 ( 0.000 -0.000 0.000) 0.000 28.078 ( 0.000 0.000 0.000) 0.000 28.097 ( -0.000 0.000 -0.000) 0.000 28.097 ( -0.000 0.000 -0.000) 0.000 28.227 ( 0.000 0.000 0.000) 0.000 28.227 ( -0.000 0.000 0.000) 0.000 28.238 ( 0.000 -0.000 0.000) 0.000 28.508 ( 0.000 0.000 0.000) 0.000 29.792 ( 0.000 0.000 -0.000) 0.000 30.314 ( 0.000 0.000 0.000) 0.000 30.541 ( -0.000 0.000 -0.000) 0.000 30.757 ( 0.000 0.000 0.000) 0.000 31.045 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/24) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.533 ( 23.246 13.424 0.000) 26.844 0.761 ( 29.904 18.463 0.000) 35.145 1.215 ( 49.565 27.791 0.000) 56.825 1.657 ( -1.576 0.533 0.000) 1.664 1.786 ( 6.381 1.595 0.000) 6.577 1.931 ( 0.494 -2.429 0.000) 2.479 1.964 ( 3.465 4.521 0.000) 5.696 2.091 ( 3.155 1.982 0.000) 3.726 2.184 ( 7.298 5.508 0.000) 9.144 2.220 ( 11.765 7.057 0.000) 13.719 2.255 ( 12.627 6.307 0.000) 14.114 2.537 ( -7.603 -4.093 0.000) 8.635 2.577 ( -4.561 -3.143 0.000) 5.539 2.676 ( 2.201 2.943 0.000) 3.674 2.737 ( 2.845 0.020 0.000) 2.845 2.755 ( -0.304 -0.099 0.000) 0.320 2.796 ( 2.406 -2.485 0.000) 3.459 2.804 ( -4.059 1.933 0.000) 4.496 2.901 ( 2.281 4.046 0.000) 4.644 2.943 ( 2.442 0.898 0.000) 2.601 2.968 ( 4.845 0.146 0.000) 4.847 3.024 ( 3.341 1.890 0.000) 3.838 3.229 ( 0.906 0.156 0.000) 0.920 3.354 ( -1.367 -1.403 0.000) 1.958 3.368 ( 1.410 1.865 0.000) 2.337 3.423 ( -4.491 2.178 0.000) 4.992 3.479 ( -3.635 -1.093 0.000) 3.795 3.497 ( 6.231 -3.733 0.000) 7.263 3.537 ( 0.290 -0.666 0.000) 0.726 3.602 ( -0.184 1.609 0.000) 1.619 3.746 ( 4.205 1.256 0.000) 4.389 3.792 ( -10.954 -4.181 0.000) 11.725 3.805 ( -6.564 -0.918 0.000) 6.628 3.859 ( -1.284 -2.927 0.000) 3.197 3.957 ( -1.541 -1.405 0.000) 2.085 4.046 ( -3.257 -0.780 0.000) 3.349 4.085 ( -1.051 -1.964 0.000) 2.228 4.135 ( 0.303 1.044 0.000) 1.087 4.160 ( -5.027 -3.000 0.000) 5.854 4.168 ( 3.161 1.610 0.000) 3.547 4.191 ( 1.120 0.762 0.000) 1.355 4.219 ( 2.029 0.498 0.000) 2.089 4.257 ( 0.256 0.375 0.000) 0.454 4.269 ( 2.761 1.368 0.000) 3.081 4.361 ( 0.305 1.327 0.000) 1.362 4.401 ( -1.573 -1.448 0.000) 2.138 4.443 ( 0.366 -0.149 0.000) 0.395 4.461 ( 2.577 -1.636 0.000) 3.053 4.495 ( 2.968 -1.110 0.000) 3.168 4.509 ( 3.073 3.780 0.000) 4.871 4.526 ( 2.232 3.281 0.000) 3.968 4.570 ( 2.865 4.013 0.000) 4.931 4.721 ( 1.119 0.370 0.000) 1.178 4.743 ( 1.023 -1.692 0.000) 1.977 4.771 ( -0.421 3.301 0.000) 3.327 4.796 ( 2.367 0.652 0.000) 2.455 4.869 ( 0.698 -1.030 0.000) 1.244 4.876 ( 0.010 1.043 0.000) 1.043 4.924 ( 1.620 -1.788 0.000) 2.413 4.974 ( -0.091 2.882 0.000) 2.883 5.030 ( 5.195 2.347 0.000) 5.700 5.054 ( 4.317 2.397 0.000) 4.938 5.081 ( 1.316 -0.381 0.000) 1.370 5.085 ( -0.549 0.690 0.000) 0.881 5.392 ( -6.184 -2.631 0.000) 6.720 5.412 ( -6.451 -2.977 0.000) 7.105 5.441 ( 1.397 -1.395 0.000) 1.974 5.474 ( -5.730 0.316 0.000) 5.738 5.515 ( 2.593 -3.344 0.000) 4.231 5.564 ( -0.295 1.470 0.000) 1.499 5.627 ( 2.492 1.836 0.000) 3.095 5.764 ( -7.186 -5.299 0.000) 8.929 5.774 ( -7.306 -3.566 0.000) 8.130 5.835 ( -6.987 -4.624 0.000) 8.378 5.861 ( -4.331 -2.983 0.000) 5.259 5.886 ( -9.753 -7.283 0.000) 12.172 6.024 ( -9.368 1.802 0.000) 9.540 6.062 ( -4.878 -4.458 0.000) 6.608 6.084 ( -6.881 -5.557 0.000) 8.845 6.144 ( -1.117 -0.209 0.000) 1.136 6.228 ( -1.438 -4.945 0.000) 5.150 6.237 ( -3.299 1.323 0.000) 3.555 6.268 ( 0.923 -6.853 0.000) 6.915 6.307 ( -7.389 -3.531 0.000) 8.189 6.353 ( 0.268 4.872 0.000) 4.879 6.403 ( -0.346 3.097 0.000) 3.116 6.430 ( 2.172 1.447 0.000) 2.610 6.551 ( -1.393 2.002 0.000) 2.439 6.605 ( 0.376 0.584 0.000) 0.695 6.652 ( -0.113 -0.932 0.000) 0.938 6.674 ( -0.605 -4.887 0.000) 4.925 6.721 ( 0.036 -0.563 0.000) 0.564 6.759 ( 0.663 2.167 0.000) 2.266 6.830 ( -0.161 1.450 0.000) 1.459 6.871 ( 1.791 -1.545 0.000) 2.365 6.945 ( -0.944 -1.381 0.000) 1.673 7.021 ( 3.991 4.522 0.000) 6.031 7.051 ( 2.639 0.833 0.000) 2.768 7.160 ( -2.728 -1.430 0.000) 3.080 7.200 ( -1.434 -2.409 0.000) 2.804 7.222 ( -3.576 -2.683 0.000) 4.470 7.230 ( -0.240 0.205 0.000) 0.316 7.277 ( 1.172 0.409 0.000) 1.241 7.329 ( -2.467 -1.155 0.000) 2.724 7.404 ( -6.307 -2.104 0.000) 6.648 7.444 ( -2.270 -0.616 0.000) 2.352 7.467 ( -2.255 -1.988 0.000) 3.006 7.508 ( 4.226 1.267 0.000) 4.411 7.784 ( -1.481 0.980 0.000) 1.776 7.854 ( 1.266 -4.236 0.000) 4.421 7.888 ( 0.715 -0.662 0.000) 0.974 7.945 ( 0.282 7.226 0.000) 7.231 7.984 ( 3.715 -0.669 0.000) 3.775 8.033 ( -4.952 1.986 0.000) 5.335 8.128 ( -3.361 0.149 0.000) 3.364 8.196 ( 4.166 -0.462 0.000) 4.192 8.222 ( 2.063 0.339 0.000) 2.091 8.254 ( 4.530 -4.780 0.000) 6.586 8.356 ( 1.652 1.469 0.000) 2.211 8.426 ( 0.847 5.088 0.000) 5.158 8.733 ( 1.192 1.291 0.000) 1.758 8.832 ( 1.922 -1.376 0.000) 2.364 8.870 ( 2.927 3.201 0.000) 4.338 9.081 ( 2.785 1.982 0.000) 3.419 9.110 ( -1.684 0.664 0.000) 1.810 9.150 ( 4.522 1.445 0.000) 4.747 9.253 ( -0.938 -1.926 0.000) 2.142 9.554 ( 1.344 0.697 0.000) 1.514 9.567 ( 1.459 1.703 0.000) 2.243 9.618 ( -2.279 -0.964 0.000) 2.475 9.640 ( -0.706 -1.115 0.000) 1.320 9.731 ( -4.673 -2.859 0.000) 5.478 9.820 ( -5.918 -2.996 0.000) 6.633 9.849 ( -4.514 -2.960 0.000) 5.398 9.917 ( -3.299 0.401 0.000) 3.323 9.957 ( 3.236 -3.421 0.000) 4.709 9.988 ( -2.891 2.250 0.000) 3.663 10.031 ( -0.269 -0.758 0.000) 0.805 10.055 ( 4.566 1.260 0.000) 4.737 10.087 ( 2.534 3.513 0.000) 4.331 10.144 ( 5.053 2.150 0.000) 5.492 10.290 ( -3.944 -2.129 0.000) 4.482 10.437 ( 3.947 2.230 0.000) 4.534 10.814 ( -4.322 -2.479 0.000) 4.983 11.164 ( 0.380 0.194 0.000) 0.427 11.333 ( 0.353 0.192 0.000) 0.402 11.480 ( -5.239 -2.651 0.000) 5.872 11.588 ( 2.280 1.064 0.000) 2.516 11.642 ( 1.936 0.982 0.000) 2.171 11.999 ( -1.730 -1.014 0.000) 2.005 12.652 ( -0.798 -0.500 0.000) 0.942 12.676 ( 0.548 0.523 0.000) 0.758 12.681 ( -0.450 -0.428 0.000) 0.621 13.378 ( -0.003 0.090 0.000) 0.090 13.393 ( 1.509 0.745 0.000) 1.683 13.475 ( -1.269 -0.674 0.000) 1.437 13.518 ( -7.059 -3.467 0.000) 7.864 13.629 ( 0.262 -3.045 0.000) 3.056 13.641 ( -0.304 2.270 0.000) 2.291 13.830 ( -1.351 -0.779 0.000) 1.560 14.037 ( -1.075 -0.633 0.000) 1.248 14.110 ( 4.745 2.693 0.000) 5.456 14.258 ( -4.266 -0.230 0.000) 4.272 14.277 ( -0.621 -3.321 0.000) 3.379 14.391 ( -1.592 -0.469 0.000) 1.660 14.449 ( -2.921 1.255 0.000) 3.179 14.468 ( 5.500 0.713 0.000) 5.546 14.602 ( 6.112 2.811 0.000) 6.728 14.647 ( -2.950 -1.013 0.000) 3.119 14.753 ( 2.549 1.152 0.000) 2.798 14.846 ( 2.408 1.548 0.000) 2.862 15.050 ( -0.065 -0.013 0.000) 0.066 15.076 ( 1.978 1.114 0.000) 2.270 15.225 ( -0.499 -0.358 0.000) 0.614 15.333 ( -2.164 -3.183 0.000) 3.849 15.349 ( -1.600 1.570 0.000) 2.242 15.443 ( 1.397 -0.679 0.000) 1.553 15.487 ( 2.961 2.632 0.000) 3.962 15.500 ( 4.525 2.766 0.000) 5.304 15.767 ( -2.845 -1.640 0.000) 3.284 16.095 ( -2.117 -1.366 0.000) 2.520 16.144 ( 0.595 0.116 0.000) 0.606 16.266 ( 1.599 2.826 0.000) 3.247 16.305 ( 1.786 -0.184 0.000) 1.796 16.389 ( 0.496 0.260 0.000) 0.560 16.416 ( 0.690 0.218 0.000) 0.724 20.549 ( -1.361 -0.984 0.000) 1.680 20.563 ( -0.654 -0.018 0.000) 0.654 20.614 ( 0.429 0.159 0.000) 0.457 20.720 ( -1.005 -0.693 0.000) 1.221 21.002 ( 0.709 0.446 0.000) 0.837 21.102 ( 0.597 0.331 0.000) 0.682 25.120 ( -2.846 -1.359 0.000) 3.154 25.145 ( -1.092 -1.038 0.000) 1.507 25.237 ( 0.529 0.568 0.000) 0.776 25.268 ( 3.366 1.734 0.000) 3.786 25.282 ( 2.578 1.559 0.000) 3.013 25.935 ( -11.539 -6.662 0.000) 13.324 26.960 ( -1.861 -1.504 0.000) 2.393 26.980 ( -1.019 -0.279 0.000) 1.057 27.067 ( 0.513 2.417 0.000) 2.470 27.104 ( 5.105 0.480 0.000) 5.128 27.239 ( -1.328 -0.535 0.000) 1.432 27.270 ( 0.278 -1.532 0.000) 1.557 27.293 ( 0.410 3.384 0.000) 3.408 27.349 ( 5.362 0.695 0.000) 5.407 27.368 ( -4.001 -0.621 0.000) 4.049 27.472 ( -2.661 -2.054 0.000) 3.361 27.509 ( 1.490 0.596 0.000) 1.604 27.581 ( 0.306 0.054 0.000) 0.311 27.615 ( 4.417 2.530 0.000) 5.090 27.684 ( -2.034 -0.218 0.000) 2.046 27.715 ( 0.665 0.020 0.000) 0.665 27.735 ( 1.372 0.097 0.000) 1.376 27.739 ( 0.930 1.170 0.000) 1.494 27.784 ( 2.760 0.702 0.000) 2.848 27.816 ( 4.075 3.114 0.000) 5.128 27.957 ( -0.850 0.042 0.000) 0.851 27.989 ( 1.694 -0.331 0.000) 1.726 28.028 ( -0.825 1.800 0.000) 1.980 28.053 ( 1.442 1.811 0.000) 2.315 28.080 ( 2.068 -0.529 0.000) 2.135 28.104 ( 4.757 2.974 0.000) 5.610 28.119 ( 2.766 -1.506 0.000) 3.150 28.158 ( 2.361 3.732 0.000) 4.416 28.225 ( 1.609 0.587 0.000) 1.712 28.305 ( 4.539 2.709 0.000) 5.286 28.487 ( -1.639 -0.954 0.000) 1.897 29.748 ( -3.410 -1.976 0.000) 3.942 30.230 ( -6.301 -3.639 0.000) 7.277 30.475 ( -5.266 -3.039 0.000) 6.080 30.605 ( -4.902 -2.826 0.000) 5.659 30.759 ( -0.298 -0.177 0.000) 0.347 31.008 ( -2.947 -1.675 0.000) 3.390 ======================= Grid point 2 (3/24) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 20.550 11.931 0.000) 23.763 1.389 ( 16.528 15.884 0.000) 22.924 1.624 ( 0.993 0.613 0.000) 1.167 1.817 ( 0.457 -0.983 0.000) 1.085 1.908 ( 4.747 -3.515 0.000) 5.906 2.040 ( 7.061 -0.395 0.000) 7.073 2.245 ( 6.129 6.215 0.000) 8.729 2.307 ( -4.214 -1.435 0.000) 4.452 2.334 ( 20.706 11.265 0.000) 23.572 2.392 ( 8.946 5.858 0.000) 10.693 2.461 ( -0.993 1.301 0.000) 1.637 2.517 ( 7.767 2.628 0.000) 8.199 2.573 ( 10.751 6.724 0.000) 12.681 2.653 ( -2.320 -0.530 0.000) 2.380 2.752 ( -1.127 4.103 0.000) 4.255 2.805 ( 5.467 2.264 0.000) 5.917 2.845 ( 3.626 3.365 0.000) 4.946 2.895 ( 1.560 4.693 0.000) 4.945 2.944 ( 0.472 0.142 0.000) 0.493 3.010 ( 5.221 -0.849 0.000) 5.290 3.033 ( 3.872 -2.217 0.000) 4.462 3.126 ( 9.328 4.616 0.000) 10.408 3.251 ( 0.349 -1.451 0.000) 1.492 3.285 ( -4.616 -2.936 0.000) 5.471 3.360 ( -3.138 -1.330 0.000) 3.408 3.396 ( -1.660 0.934 0.000) 1.905 3.425 ( -3.410 4.032 0.000) 5.280 3.531 ( 2.584 -2.298 0.000) 3.458 3.551 ( 3.604 -1.952 0.000) 4.098 3.574 ( 1.199 -3.014 0.000) 3.244 3.653 ( -2.776 0.222 0.000) 2.784 3.766 ( -0.978 6.043 0.000) 6.122 3.828 ( 0.559 2.337 0.000) 2.403 3.859 ( 1.940 3.267 0.000) 3.799 3.957 ( 3.559 0.145 0.000) 3.562 3.982 ( -0.867 -1.440 0.000) 1.681 4.064 ( -3.919 -1.073 0.000) 4.063 4.073 ( 1.901 0.970 0.000) 2.134 4.141 ( 0.341 0.013 0.000) 0.341 4.202 ( -0.478 -0.325 0.000) 0.578 4.225 ( 3.628 -2.957 0.000) 4.681 4.256 ( 0.172 1.865 0.000) 1.873 4.279 ( -0.073 2.895 0.000) 2.896 4.308 ( 0.774 0.025 0.000) 0.774 4.349 ( 0.327 -4.346 0.000) 4.358 4.369 ( 0.212 -2.557 0.000) 2.566 4.435 ( -4.150 0.254 0.000) 4.157 4.496 ( 1.355 2.774 0.000) 3.087 4.530 ( 2.613 -3.305 0.000) 4.214 4.547 ( -0.830 1.032 0.000) 1.325 4.601 ( 0.970 1.763 0.000) 2.012 4.623 ( -0.238 2.675 0.000) 2.685 4.703 ( -2.182 -1.512 0.000) 2.654 4.713 ( -4.388 -3.146 0.000) 5.399 4.770 ( -2.822 -2.502 0.000) 3.771 4.800 ( -5.121 -1.456 0.000) 5.324 4.821 ( -3.440 -1.552 0.000) 3.774 4.869 ( 2.176 -0.495 0.000) 2.232 4.977 ( -1.264 0.318 0.000) 1.303 4.995 ( -1.414 -1.634 0.000) 2.161 5.024 ( 3.652 0.561 0.000) 3.695 5.084 ( -6.061 -4.414 0.000) 7.498 5.108 ( -2.527 0.730 0.000) 2.630 5.162 ( 1.113 0.688 0.000) 1.309 5.208 ( 5.692 3.328 0.000) 6.594 5.266 ( -5.179 -2.943 0.000) 5.957 5.382 ( -3.678 -0.983 0.000) 3.807 5.419 ( -3.555 -5.733 0.000) 6.746 5.444 ( -6.421 -4.023 0.000) 7.577 5.496 ( -3.165 0.936 0.000) 3.300 5.604 ( -4.995 -5.840 0.000) 7.684 5.635 ( -5.391 -2.486 0.000) 5.936 5.683 ( -1.777 -1.327 0.000) 2.218 5.691 ( 0.184 -3.293 0.000) 3.298 5.759 ( 1.029 0.924 0.000) 1.383 5.818 ( 2.092 4.891 0.000) 5.320 5.920 ( 1.670 -3.189 0.000) 3.600 5.928 ( -4.138 -0.176 0.000) 4.141 6.017 ( -5.286 1.525 0.000) 5.502 6.064 ( -3.680 -1.533 0.000) 3.987 6.084 ( -6.887 -5.275 0.000) 8.675 6.147 ( -3.320 -1.655 0.000) 3.710 6.222 ( -1.012 -3.953 0.000) 4.081 6.254 ( -0.379 4.131 0.000) 4.148 6.372 ( -0.530 2.646 0.000) 2.699 6.390 ( -0.563 3.363 0.000) 3.410 6.513 ( 1.845 1.993 0.000) 2.716 6.539 ( -0.715 2.737 0.000) 2.829 6.576 ( -5.812 2.775 0.000) 6.441 6.643 ( 2.158 -7.110 0.000) 7.430 6.652 ( 3.021 -5.194 0.000) 6.009 6.716 ( -1.411 -0.953 0.000) 1.703 6.734 ( -2.045 -0.932 0.000) 2.248 6.824 ( -5.382 -2.084 0.000) 5.771 6.896 ( 5.548 -3.312 0.000) 6.462 6.933 ( 3.137 -1.607 0.000) 3.524 6.982 ( -1.765 -3.831 0.000) 4.218 7.074 ( -4.990 -2.462 0.000) 5.564 7.110 ( -1.662 5.667 0.000) 5.905 7.136 ( -1.967 1.779 0.000) 2.652 7.177 ( -7.168 -3.148 0.000) 7.829 7.196 ( -2.709 -0.508 0.000) 2.757 7.255 ( 1.325 0.682 0.000) 1.490 7.270 ( -1.842 -0.971 0.000) 2.082 7.318 ( 0.892 -2.334 0.000) 2.499 7.347 ( -4.233 -2.480 0.000) 4.906 7.448 ( -3.526 0.435 0.000) 3.553 7.539 ( 2.426 -3.266 0.000) 4.068 7.806 ( 2.391 0.741 0.000) 2.503 7.897 ( 3.361 1.854 0.000) 3.838 7.917 ( -5.087 3.314 0.000) 6.071 7.939 ( 3.189 1.889 0.000) 3.706 8.040 ( 3.532 0.559 0.000) 3.576 8.069 ( 0.311 -1.934 0.000) 1.959 8.128 ( 2.713 5.943 0.000) 6.533 8.240 ( 0.863 0.562 0.000) 1.030 8.273 ( 3.614 -1.400 0.000) 3.875 8.303 ( 4.530 -1.261 0.000) 4.702 8.389 ( 0.589 0.734 0.000) 0.941 8.555 ( 5.458 6.301 0.000) 8.336 8.768 ( -0.268 1.553 0.000) 1.576 8.851 ( 2.661 -2.607 0.000) 3.725 8.948 ( 1.371 3.895 0.000) 4.129 9.029 ( -3.858 -3.138 0.000) 4.973 9.085 ( -1.543 1.605 0.000) 2.226 9.197 ( -3.312 -2.593 0.000) 4.206 9.286 ( 4.493 -1.138 0.000) 4.635 9.537 ( -2.791 -0.405 0.000) 2.820 9.566 ( -1.373 0.360 0.000) 1.420 9.581 ( -2.144 -0.450 0.000) 2.191 9.631 ( 1.234 -1.972 0.000) 2.326 9.642 ( -1.143 -1.569 0.000) 1.941 9.741 ( -0.528 -0.606 0.000) 0.804 9.790 ( -0.324 2.379 0.000) 2.401 9.840 ( -3.344 -1.273 0.000) 3.578 9.958 ( -2.041 1.861 0.000) 2.762 9.991 ( 0.237 -1.967 0.000) 1.981 10.029 ( 4.082 -3.167 0.000) 5.166 10.104 ( -1.682 1.666 0.000) 2.367 10.142 ( -5.244 -2.850 0.000) 5.968 10.195 ( 2.262 6.929 0.000) 7.289 10.272 ( 5.653 -0.919 0.000) 5.728 10.509 ( 1.982 0.666 0.000) 2.091 10.688 ( -5.690 -2.915 0.000) 6.393 11.178 ( 0.844 0.397 0.000) 0.933 11.327 ( -2.233 -1.070 0.000) 2.476 11.384 ( -1.281 -0.700 0.000) 1.460 11.635 ( 1.386 0.905 0.000) 1.655 11.702 ( 3.120 1.513 0.000) 3.468 11.947 ( -2.375 -1.505 0.000) 2.812 12.634 ( -0.489 -0.420 0.000) 0.645 12.654 ( -1.204 -0.503 0.000) 1.305 12.706 ( 1.136 0.599 0.000) 1.284 13.344 ( -3.429 -1.706 0.000) 3.830 13.386 ( -2.524 -1.294 0.000) 2.836 13.432 ( 1.287 0.777 0.000) 1.503 13.463 ( 0.043 0.050 0.000) 0.066 13.585 ( -1.584 -2.150 0.000) 2.670 13.665 ( 0.801 0.917 0.000) 1.217 13.794 ( -1.485 -0.835 0.000) 1.704 14.018 ( -0.395 -0.270 0.000) 0.479 14.198 ( -2.190 1.043 0.000) 2.425 14.215 ( 3.209 1.657 0.000) 3.612 14.249 ( 0.893 -3.782 0.000) 3.886 14.319 ( -2.403 -0.908 0.000) 2.569 14.446 ( -2.129 2.009 0.000) 2.927 14.571 ( 4.050 1.308 0.000) 4.256 14.603 ( 0.483 -0.074 0.000) 0.488 14.751 ( 5.568 2.574 0.000) 6.134 14.789 ( 0.981 -0.103 0.000) 0.986 14.883 ( 0.067 0.993 0.000) 0.995 15.045 ( -0.394 -0.203 0.000) 0.444 15.127 ( 1.895 1.073 0.000) 2.177 15.217 ( -0.130 -0.314 0.000) 0.340 15.272 ( -1.435 -1.379 0.000) 1.990 15.356 ( 0.099 1.163 0.000) 1.167 15.454 ( 0.649 -0.710 0.000) 0.962 15.562 ( 1.987 3.108 0.000) 3.688 15.598 ( 3.236 0.893 0.000) 3.357 15.690 ( -3.033 -1.709 0.000) 3.481 16.064 ( -0.084 -0.651 0.000) 0.656 16.155 ( -0.119 0.799 0.000) 0.807 16.308 ( -0.720 1.606 0.000) 1.760 16.322 ( 1.731 -0.572 0.000) 1.823 16.406 ( 0.756 0.818 0.000) 1.114 16.434 ( 0.965 -0.225 0.000) 0.990 20.516 ( -1.093 -0.666 0.000) 1.280 20.550 ( -0.629 -0.035 0.000) 0.630 20.627 ( 0.680 0.427 0.000) 0.803 20.689 ( -1.226 -1.165 0.000) 1.691 21.017 ( 0.313 0.361 0.000) 0.477 21.121 ( 0.902 0.427 0.000) 0.998 25.066 ( -1.842 -0.603 0.000) 1.938 25.122 ( -0.443 -0.951 0.000) 1.049 25.247 ( 0.205 0.311 0.000) 0.372 25.323 ( 1.488 0.852 0.000) 1.715 25.369 ( 4.117 2.457 0.000) 4.794 25.677 ( -9.077 -5.269 0.000) 10.495 26.925 ( -0.260 -1.536 0.000) 1.558 26.973 ( -0.587 1.497 0.000) 1.608 27.080 ( -0.933 1.303 0.000) 1.602 27.165 ( 2.318 -3.283 0.000) 4.019 27.206 ( -0.921 -0.505 0.000) 1.050 27.239 ( -2.071 -0.571 0.000) 2.149 27.303 ( -1.745 1.082 0.000) 2.053 27.349 ( 0.879 4.198 0.000) 4.289 27.412 ( 1.974 -1.973 0.000) 2.791 27.432 ( 0.211 -1.843 0.000) 1.855 27.545 ( 1.276 1.546 0.000) 2.005 27.577 ( 0.542 -1.468 0.000) 1.565 27.634 ( -2.564 0.316 0.000) 2.583 27.685 ( -0.448 -0.718 0.000) 0.846 27.759 ( 3.102 1.945 0.000) 3.661 27.777 ( 1.460 1.334 0.000) 1.978 27.810 ( 4.351 4.098 0.000) 5.976 27.832 ( 2.514 -1.059 0.000) 2.728 27.896 ( 1.023 3.007 0.000) 3.177 27.946 ( -0.035 -0.631 0.000) 0.632 27.981 ( -1.884 -0.160 0.000) 1.891 28.061 ( 1.431 -1.264 0.000) 1.909 28.080 ( -0.400 1.037 0.000) 1.112 28.115 ( 0.409 -2.888 0.000) 2.917 28.153 ( 4.843 3.725 0.000) 6.110 28.229 ( 2.801 3.469 0.000) 4.459 28.258 ( 5.399 4.004 0.000) 6.722 28.313 ( 4.994 0.778 0.000) 5.054 28.419 ( 3.026 2.561 0.000) 3.964 28.447 ( -0.458 -0.645 0.000) 0.791 29.658 ( -3.480 -2.033 0.000) 4.030 30.079 ( -4.897 -2.847 0.000) 5.664 30.317 ( -7.185 -4.131 0.000) 8.288 30.479 ( -4.901 -2.795 0.000) 5.642 30.747 ( -0.309 -0.226 0.000) 0.383 30.924 ( -3.634 -1.995 0.000) 4.145 ======================= Grid point 3 (4/24) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 0.000 0.000 0.000) 0.000 1.569 ( 0.000 0.000 0.000) 0.000 1.675 ( 0.000 0.000 0.000) 0.000 1.842 ( 0.000 0.000 0.000) 0.000 2.018 ( -0.000 -0.000 0.000) 0.000 2.042 ( 0.000 0.000 0.000) 0.000 2.140 ( 0.000 0.000 0.000) 0.000 2.321 ( 0.000 0.000 0.000) 0.000 2.348 ( 0.000 0.000 0.000) 0.000 2.544 ( 0.000 0.000 0.000) 0.000 2.548 ( 0.000 0.000 0.000) 0.000 2.640 ( 0.000 0.000 0.000) 0.000 2.656 ( 0.000 0.000 0.000) 0.000 2.723 ( 0.000 0.000 0.000) 0.000 2.766 ( -0.000 0.000 0.000) 0.000 2.877 ( 0.000 0.000 0.000) 0.000 2.933 ( 0.000 0.000 0.000) 0.000 2.947 ( 0.000 0.000 0.000) 0.000 3.000 ( -0.000 0.000 0.000) 0.000 3.064 ( 0.000 0.000 0.000) 0.000 3.071 ( 0.000 0.000 0.000) 0.000 3.115 ( 0.000 0.000 0.000) 0.000 3.260 ( 0.000 0.000 0.000) 0.000 3.315 ( -0.000 0.000 0.000) 0.000 3.337 ( 0.000 0.000 0.000) 0.000 3.485 ( 0.000 0.000 0.000) 0.000 3.504 ( -0.000 -0.000 0.000) 0.000 3.517 ( 0.000 0.000 0.000) 0.000 3.521 ( -0.000 -0.000 0.000) 0.000 3.600 ( 0.000 0.000 0.000) 0.000 3.717 ( 0.000 -0.000 0.000) 0.000 3.744 ( 0.000 0.000 0.000) 0.000 3.890 ( 0.000 0.000 0.000) 0.000 3.890 ( -0.000 -0.000 0.000) 0.000 3.971 ( 0.000 0.000 0.000) 0.000 3.994 ( 0.000 0.000 0.000) 0.000 4.040 ( 0.000 -0.000 0.000) 0.000 4.059 ( 0.000 0.000 0.000) 0.000 4.147 ( 0.000 0.000 0.000) 0.000 4.180 ( 0.000 0.000 0.000) 0.000 4.204 ( -0.000 -0.000 0.000) 0.000 4.268 ( 0.000 -0.000 0.000) 0.000 4.300 ( 0.000 0.000 0.000) 0.000 4.327 ( -0.000 0.000 0.000) 0.000 4.369 ( 0.000 0.000 0.000) 0.000 4.389 ( 0.000 -0.000 0.000) 0.000 4.400 ( 0.000 0.000 0.000) 0.000 4.405 ( -0.000 -0.000 0.000) 0.000 4.462 ( 0.000 0.000 0.000) 0.000 4.508 ( 0.000 0.000 0.000) 0.000 4.559 ( 0.000 0.000 0.000) 0.000 4.592 ( 0.000 0.000 0.000) 0.000 4.643 ( 0.000 0.000 0.000) 0.000 4.691 ( 0.000 0.000 0.000) 0.000 4.717 ( 0.000 0.000 0.000) 0.000 4.748 ( 0.000 0.000 0.000) 0.000 4.819 ( 0.000 0.000 0.000) 0.000 4.876 ( 0.000 0.000 0.000) 0.000 4.918 ( 0.000 0.000 0.000) 0.000 4.977 ( -0.000 -0.000 0.000) 0.000 5.058 ( -0.000 0.000 0.000) 0.000 5.061 ( 0.000 -0.000 0.000) 0.000 5.067 ( -0.000 0.000 0.000) 0.000 5.144 ( 0.000 0.000 0.000) 0.000 5.213 ( 0.000 0.000 0.000) 0.000 5.275 ( 0.000 0.000 0.000) 0.000 5.327 ( 0.000 0.000 0.000) 0.000 5.397 ( 0.000 0.000 0.000) 0.000 5.448 ( 0.000 -0.000 0.000) 0.000 5.448 ( -0.000 0.000 0.000) 0.000 5.513 ( 0.000 -0.000 0.000) 0.000 5.542 ( 0.000 0.000 0.000) 0.000 5.629 ( 0.000 -0.000 0.000) 0.000 5.722 ( 0.000 0.000 0.000) 0.000 5.744 ( 0.000 -0.000 0.000) 0.000 5.881 ( 0.000 -0.000 0.000) 0.000 5.923 ( 0.000 0.000 0.000) 0.000 5.939 ( 0.000 -0.000 0.000) 0.000 5.942 ( -0.000 0.000 0.000) 0.000 5.989 ( 0.000 -0.000 0.000) 0.000 6.041 ( 0.000 0.000 0.000) 0.000 6.100 ( 0.000 -0.000 0.000) 0.000 6.185 ( 0.000 0.000 0.000) 0.000 6.327 ( -0.000 -0.000 0.000) 0.000 6.363 ( 0.000 0.000 0.000) 0.000 6.468 ( 0.000 0.000 0.000) 0.000 6.496 ( 0.000 0.000 0.000) 0.000 6.530 ( -0.000 0.000 0.000) 0.000 6.567 ( 0.000 0.000 0.000) 0.000 6.589 ( 0.000 -0.000 0.000) 0.000 6.622 ( 0.000 0.000 0.000) 0.000 6.690 ( 0.000 0.000 0.000) 0.000 6.709 ( 0.000 0.000 0.000) 0.000 6.753 ( 0.000 0.000 0.000) 0.000 6.906 ( 0.000 0.000 0.000) 0.000 6.967 ( 0.000 0.000 0.000) 0.000 6.984 ( -0.000 0.000 0.000) 0.000 6.987 ( 0.000 0.000 0.000) 0.000 7.078 ( -0.000 0.000 0.000) 0.000 7.101 ( 0.000 0.000 0.000) 0.000 7.141 ( 0.000 0.000 0.000) 0.000 7.186 ( 0.000 0.000 0.000) 0.000 7.251 ( 0.000 -0.000 0.000) 0.000 7.253 ( -0.000 0.000 0.000) 0.000 7.305 ( 0.000 0.000 0.000) 0.000 7.335 ( 0.000 0.000 0.000) 0.000 7.367 ( -0.000 -0.000 0.000) 0.000 7.556 ( 0.000 0.000 0.000) 0.000 7.841 ( 0.000 0.000 0.000) 0.000 7.879 ( 0.000 0.000 0.000) 0.000 7.954 ( 0.000 0.000 0.000) 0.000 7.988 ( 0.000 0.000 0.000) 0.000 8.056 ( 0.000 0.000 0.000) 0.000 8.085 ( 0.000 0.000 0.000) 0.000 8.199 ( 0.000 0.000 0.000) 0.000 8.238 ( 0.000 0.000 0.000) 0.000 8.311 ( 0.000 0.000 0.000) 0.000 8.340 ( 0.000 0.000 0.000) 0.000 8.401 ( 0.000 0.000 0.000) 0.000 8.662 ( 0.000 0.000 0.000) 0.000 8.766 ( 0.000 0.000 0.000) 0.000 8.856 ( 0.000 0.000 0.000) 0.000 8.971 ( 0.000 0.000 0.000) 0.000 9.005 ( 0.000 0.000 0.000) 0.000 9.083 ( 0.000 0.000 0.000) 0.000 9.088 ( -0.000 -0.000 0.000) 0.000 9.319 ( 0.000 0.000 0.000) 0.000 9.515 ( 0.000 0.000 0.000) 0.000 9.516 ( -0.000 -0.000 0.000) 0.000 9.588 ( 0.000 0.000 0.000) 0.000 9.603 ( 0.000 0.000 0.000) 0.000 9.657 ( 0.000 0.000 0.000) 0.000 9.743 ( 0.000 0.000 0.000) 0.000 9.800 ( 0.000 -0.000 0.000) 0.000 9.836 ( 0.000 0.000 0.000) 0.000 9.943 ( 0.000 0.000 0.000) 0.000 9.954 ( 0.000 -0.000 0.000) 0.000 10.041 ( 0.000 0.000 0.000) 0.000 10.086 ( 0.000 -0.000 0.000) 0.000 10.092 ( -0.000 0.000 0.000) 0.000 10.267 ( 0.000 0.000 0.000) 0.000 10.322 ( 0.000 0.000 0.000) 0.000 10.528 ( 0.000 0.000 0.000) 0.000 10.606 ( 0.000 0.000 0.000) 0.000 11.193 ( 0.000 0.000 0.000) 0.000 11.283 ( 0.000 0.000 0.000) 0.000 11.383 ( 0.000 0.000 0.000) 0.000 11.652 ( 0.000 0.000 0.000) 0.000 11.750 ( 0.000 0.000 0.000) 0.000 11.908 ( 0.000 0.000 0.000) 0.000 12.630 ( 0.000 0.000 0.000) 0.000 12.636 ( 0.000 0.000 0.000) 0.000 12.720 ( 0.000 0.000 0.000) 0.000 13.295 ( 0.000 0.000 0.000) 0.000 13.361 ( 0.000 0.000 0.000) 0.000 13.450 ( 0.000 0.000 0.000) 0.000 13.466 ( 0.000 0.000 0.000) 0.000 13.555 ( 0.000 0.000 0.000) 0.000 13.680 ( 0.000 0.000 0.000) 0.000 13.773 ( 0.000 0.000 0.000) 0.000 14.014 ( 0.000 0.000 0.000) 0.000 14.183 ( 0.000 0.000 0.000) 0.000 14.227 ( 0.000 0.000 0.000) 0.000 14.258 ( 0.000 0.000 0.000) 0.000 14.306 ( 0.000 0.000 0.000) 0.000 14.424 ( 0.000 0.000 0.000) 0.000 14.617 ( 0.000 -0.000 0.000) 0.000 14.620 ( -0.000 0.000 0.000) 0.000 14.792 ( 0.000 -0.000 0.000) 0.000 14.834 ( -0.000 0.000 0.000) 0.000 14.874 ( 0.000 0.000 0.000) 0.000 15.038 ( 0.000 0.000 0.000) 0.000 15.151 ( 0.000 0.000 0.000) 0.000 15.212 ( 0.000 0.000 0.000) 0.000 15.256 ( 0.000 0.000 0.000) 0.000 15.365 ( 0.000 0.000 0.000) 0.000 15.455 ( 0.000 -0.000 0.000) 0.000 15.605 ( 0.000 0.000 0.000) 0.000 15.615 ( 0.000 0.000 0.000) 0.000 15.659 ( 0.000 0.000 0.000) 0.000 16.065 ( 0.000 0.000 0.000) 0.000 16.155 ( 0.000 0.000 0.000) 0.000 16.303 ( 0.000 0.000 0.000) 0.000 16.338 ( 0.000 0.000 0.000) 0.000 16.421 ( 0.000 0.000 0.000) 0.000 16.440 ( 0.000 -0.000 0.000) 0.000 20.502 ( 0.000 0.000 0.000) 0.000 20.543 ( 0.000 0.000 0.000) 0.000 20.642 ( 0.000 0.000 0.000) 0.000 20.665 ( 0.000 0.000 0.000) 0.000 21.021 ( 0.000 0.000 0.000) 0.000 21.133 ( 0.000 0.000 0.000) 0.000 25.046 ( 0.000 0.000 0.000) 0.000 25.112 ( 0.000 0.000 0.000) 0.000 25.250 ( 0.000 0.000 0.000) 0.000 25.341 ( 0.000 0.000 0.000) 0.000 25.449 ( 0.000 0.000 0.000) 0.000 25.540 ( 0.000 0.000 0.000) 0.000 26.916 ( 0.000 0.000 0.000) 0.000 26.979 ( 0.000 0.000 0.000) 0.000 27.075 ( 0.000 0.000 0.000) 0.000 27.153 ( 0.000 0.000 0.000) 0.000 27.199 ( 0.000 0.000 0.000) 0.000 27.215 ( 0.000 0.000 0.000) 0.000 27.304 ( 0.000 0.000 0.000) 0.000 27.388 ( 0.000 -0.000 0.000) 0.000 27.414 ( 0.000 0.000 0.000) 0.000 27.421 ( 0.000 0.000 0.000) 0.000 27.566 ( 0.000 -0.000 0.000) 0.000 27.590 ( 0.000 0.000 0.000) 0.000 27.599 ( -0.000 0.000 0.000) 0.000 27.665 ( 0.000 0.000 0.000) 0.000 27.798 ( 0.000 0.000 0.000) 0.000 27.810 ( 0.000 0.000 0.000) 0.000 27.842 ( 0.000 0.000 0.000) 0.000 27.891 ( 0.000 0.000 0.000) 0.000 27.921 ( -0.000 -0.000 0.000) 0.000 27.949 ( 0.000 -0.000 0.000) 0.000 27.960 ( -0.000 0.000 0.000) 0.000 28.029 ( 0.000 0.000 0.000) 0.000 28.081 ( 0.000 0.000 0.000) 0.000 28.114 ( 0.000 0.000 0.000) 0.000 28.232 ( 0.000 0.000 0.000) 0.000 28.306 ( 0.000 0.000 0.000) 0.000 28.309 ( -0.000 -0.000 0.000) 0.000 28.371 ( 0.000 0.000 0.000) 0.000 28.411 ( 0.000 0.000 0.000) 0.000 28.486 ( 0.000 0.000 0.000) 0.000 29.612 ( 0.000 0.000 0.000) 0.000 30.029 ( 0.000 0.000 0.000) 0.000 30.208 ( 0.000 0.000 0.000) 0.000 30.414 ( 0.000 0.000 0.000) 0.000 30.746 ( 0.000 0.000 0.000) 0.000 30.872 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 8 (5/24) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 12.941 22.434 0.000) 25.899 1.288 ( 19.503 25.323 0.000) 31.962 1.608 ( -1.511 -3.718 0.000) 4.014 1.853 ( -0.246 2.299 0.000) 2.312 1.872 ( 3.463 10.830 0.000) 11.370 1.969 ( 1.672 18.242 0.000) 18.319 2.135 ( 13.660 14.278 0.000) 19.760 2.191 ( 6.911 10.592 0.000) 12.647 2.355 ( 7.281 9.665 0.000) 12.100 2.404 ( 2.574 1.241 0.000) 2.858 2.435 ( -2.086 1.601 0.000) 2.630 2.509 ( 3.622 6.754 0.000) 7.664 2.546 ( 5.743 10.583 0.000) 12.041 2.656 ( 3.350 -1.827 0.000) 3.816 2.674 ( -2.275 -3.477 0.000) 4.155 2.806 ( 3.134 3.604 0.000) 4.776 2.820 ( 0.138 5.031 0.000) 5.033 2.879 ( 5.878 -2.502 0.000) 6.389 2.933 ( 0.732 5.289 0.000) 5.339 2.996 ( 0.272 4.603 0.000) 4.611 3.030 ( -1.280 5.538 0.000) 5.684 3.092 ( 2.835 3.541 0.000) 4.536 3.236 ( -1.429 1.270 0.000) 1.912 3.282 ( -3.116 -9.747 0.000) 10.232 3.370 ( 0.422 -0.640 0.000) 0.766 3.392 ( -2.805 -5.496 0.000) 6.170 3.414 ( 2.786 -0.785 0.000) 2.894 3.522 ( -1.184 2.732 0.000) 2.978 3.576 ( -5.586 2.373 0.000) 6.069 3.638 ( 1.869 0.181 0.000) 1.878 3.653 ( -1.663 3.227 0.000) 3.630 3.738 ( 6.901 -2.825 0.000) 7.456 3.812 ( 3.783 -1.384 0.000) 4.029 3.872 ( 1.774 -2.785 0.000) 3.302 3.892 ( -5.476 0.536 0.000) 5.502 4.004 ( -0.740 -0.854 0.000) 1.130 4.048 ( -1.120 -1.785 0.000) 2.107 4.091 ( -0.244 -2.600 0.000) 2.612 4.122 ( -2.776 -2.639 0.000) 3.831 4.203 ( -1.610 1.582 0.000) 2.257 4.215 ( 0.607 0.077 0.000) 0.612 4.265 ( 3.304 5.905 0.000) 6.767 4.290 ( 2.054 -1.360 0.000) 2.463 4.317 ( 0.521 -1.701 0.000) 1.779 4.349 ( -1.320 4.939 0.000) 5.112 4.380 ( -5.302 2.290 0.000) 5.775 4.426 ( 3.154 1.735 0.000) 3.600 4.489 ( 1.478 -1.067 0.000) 1.823 4.513 ( -1.796 -0.563 0.000) 1.882 4.547 ( 1.700 0.612 0.000) 1.807 4.579 ( -0.710 0.100 0.000) 0.717 4.635 ( 4.959 1.514 0.000) 5.185 4.718 ( -1.168 -2.106 0.000) 2.408 4.738 ( -0.377 0.318 0.000) 0.493 4.768 ( -0.025 -2.682 0.000) 2.682 4.826 ( 0.882 1.855 0.000) 2.054 4.852 ( -2.811 -5.639 0.000) 6.301 4.869 ( -3.760 1.657 0.000) 4.109 4.913 ( 2.509 2.463 0.000) 3.516 5.014 ( -2.578 -6.134 0.000) 6.654 5.051 ( -1.548 2.184 0.000) 2.677 5.094 ( 4.821 2.359 0.000) 5.367 5.131 ( -0.161 2.629 0.000) 2.634 5.139 ( 0.154 1.900 0.000) 1.906 5.178 ( -1.729 -6.450 0.000) 6.677 5.333 ( -3.321 -7.984 0.000) 8.647 5.407 ( -0.928 -1.710 0.000) 1.946 5.427 ( -4.224 -2.528 0.000) 4.923 5.503 ( -1.686 -3.542 0.000) 3.923 5.565 ( 0.128 -5.025 0.000) 5.027 5.586 ( -6.328 -3.915 0.000) 7.441 5.641 ( -4.905 -5.333 0.000) 7.246 5.697 ( -0.632 -1.269 0.000) 1.417 5.743 ( -5.106 -2.406 0.000) 5.645 5.792 ( -1.948 -1.515 0.000) 2.468 5.798 ( -2.561 -3.621 0.000) 4.435 5.836 ( 3.934 -9.951 0.000) 10.700 5.922 ( -5.151 -3.780 0.000) 6.389 6.062 ( -2.144 -5.062 0.000) 5.497 6.108 ( -0.160 -4.832 0.000) 4.835 6.124 ( -3.821 -5.186 0.000) 6.442 6.168 ( 0.502 -4.070 0.000) 4.101 6.211 ( -4.553 2.686 0.000) 5.286 6.276 ( 1.985 0.415 0.000) 2.028 6.393 ( 2.050 -2.124 0.000) 2.952 6.416 ( 2.503 -1.394 0.000) 2.865 6.470 ( 0.668 -0.320 0.000) 0.741 6.494 ( 3.246 -0.685 0.000) 3.318 6.547 ( -0.919 -2.353 0.000) 2.526 6.682 ( -4.470 0.715 0.000) 4.527 6.704 ( -1.661 2.838 0.000) 3.288 6.750 ( -2.542 4.145 0.000) 4.863 6.774 ( 4.149 -3.391 0.000) 5.358 6.823 ( 1.590 3.117 0.000) 3.500 6.903 ( -5.444 2.730 0.000) 6.090 6.951 ( -3.979 1.926 0.000) 4.420 6.992 ( 3.724 -6.484 0.000) 7.478 7.002 ( -3.849 -5.470 0.000) 6.688 7.127 ( -3.791 -4.912 0.000) 6.205 7.150 ( 1.132 -0.746 0.000) 1.356 7.176 ( -0.005 -4.965 0.000) 4.965 7.223 ( -0.670 0.799 0.000) 1.043 7.271 ( -1.433 2.054 0.000) 2.504 7.317 ( -1.549 -7.903 0.000) 8.053 7.352 ( 0.817 2.019 0.000) 2.178 7.380 ( -1.381 -2.931 0.000) 3.240 7.417 ( 0.237 -1.952 0.000) 1.966 7.551 ( -3.463 1.344 0.000) 3.715 7.810 ( -0.946 1.988 0.000) 2.202 7.825 ( 3.447 2.006 0.000) 3.989 7.913 ( 3.181 0.218 0.000) 3.188 7.943 ( 1.714 1.689 0.000) 2.406 8.012 ( 0.137 1.651 0.000) 1.656 8.098 ( 3.789 0.643 0.000) 3.843 8.150 ( 4.784 -0.008 0.000) 4.784 8.200 ( -0.810 2.308 0.000) 2.446 8.276 ( -4.630 7.107 0.000) 8.482 8.334 ( -4.765 7.238 0.000) 8.665 8.372 ( 2.038 0.371 0.000) 2.071 8.441 ( 7.777 -2.504 0.000) 8.171 8.750 ( 2.170 0.769 0.000) 2.302 8.829 ( -2.704 1.331 0.000) 3.014 8.937 ( 3.567 2.353 0.000) 4.273 9.038 ( -1.881 -2.779 0.000) 3.356 9.141 ( 1.976 -2.436 0.000) 3.137 9.209 ( -0.804 1.180 0.000) 1.428 9.273 ( -0.757 5.914 0.000) 5.963 9.539 ( 0.642 -1.498 0.000) 1.629 9.563 ( -0.232 -3.144 0.000) 3.152 9.610 ( -1.621 -1.580 0.000) 2.264 9.642 ( -3.147 -3.651 0.000) 4.820 9.668 ( -0.077 5.244 0.000) 5.244 9.734 ( -1.480 -5.908 0.000) 6.091 9.755 ( -0.949 -4.561 0.000) 4.659 9.875 ( -0.953 -2.805 0.000) 2.962 9.916 ( -0.003 -0.089 0.000) 0.089 10.016 ( -0.131 -0.635 0.000) 0.648 10.045 ( -4.509 1.296 0.000) 4.691 10.101 ( 4.261 3.217 0.000) 5.339 10.133 ( 4.425 1.234 0.000) 4.594 10.185 ( -2.122 -4.188 0.000) 4.695 10.267 ( 1.237 5.253 0.000) 5.396 10.494 ( 1.071 2.433 0.000) 2.659 10.723 ( -3.196 -5.895 0.000) 6.706 11.176 ( 0.450 0.918 0.000) 1.023 11.347 ( 0.610 0.845 0.000) 1.042 11.384 ( -2.932 -5.398 0.000) 6.143 11.614 ( 0.760 1.377 0.000) 1.573 11.696 ( 1.848 3.619 0.000) 4.064 11.964 ( -1.386 -2.225 0.000) 2.621 12.637 ( -0.560 -0.790 0.000) 0.968 12.661 ( -0.535 -1.225 0.000) 1.337 12.699 ( 0.686 1.312 0.000) 1.480 13.383 ( 0.511 -2.461 0.000) 2.514 13.390 ( -1.736 0.808 0.000) 1.914 13.430 ( -1.012 -3.786 0.000) 3.919 13.471 ( 0.265 0.592 0.000) 0.648 13.559 ( -2.837 -2.589 0.000) 3.841 13.674 ( 0.563 0.601 0.000) 0.823 13.796 ( -1.257 -2.256 0.000) 2.583 14.021 ( -0.389 -0.614 0.000) 0.727 14.195 ( 0.626 -0.346 0.000) 0.715 14.209 ( 1.950 2.639 0.000) 3.281 14.267 ( -2.777 0.921 0.000) 2.926 14.337 ( -2.085 -4.182 0.000) 4.673 14.445 ( 4.046 1.024 0.000) 4.173 14.539 ( -0.387 1.380 0.000) 1.433 14.634 ( 0.753 2.732 0.000) 2.834 14.704 ( 3.049 4.845 0.000) 5.725 14.765 ( -0.711 0.087 0.000) 0.716 14.883 ( 1.315 1.240 0.000) 1.807 15.062 ( 0.553 0.871 0.000) 1.032 15.106 ( 0.879 1.605 0.000) 1.830 15.229 ( 0.207 0.780 0.000) 0.807 15.286 ( -1.402 -1.246 0.000) 1.876 15.365 ( 1.622 -0.453 0.000) 1.684 15.428 ( -1.996 -0.285 0.000) 2.017 15.540 ( 2.865 1.953 0.000) 3.467 15.581 ( 1.929 4.454 0.000) 4.854 15.709 ( -2.028 -3.553 0.000) 4.091 16.057 ( -1.411 -1.686 0.000) 2.199 16.157 ( 1.229 1.226 0.000) 1.736 16.284 ( 1.061 0.394 0.000) 1.131 16.361 ( 1.324 1.950 0.000) 2.357 16.395 ( 0.272 0.213 0.000) 0.346 16.415 ( -0.487 0.841 0.000) 0.971 20.522 ( -0.832 -1.352 0.000) 1.587 20.563 ( 0.331 -0.248 0.000) 0.414 20.610 ( -0.172 0.040 0.000) 0.177 20.697 ( -1.232 -1.542 0.000) 1.974 21.023 ( 0.935 1.334 0.000) 1.629 21.111 ( 0.183 0.475 0.000) 0.509 25.065 ( -1.455 -2.997 0.000) 3.332 25.144 ( -0.240 0.536 0.000) 0.588 25.239 ( 0.148 -0.196 0.000) 0.246 25.315 ( 1.175 2.060 0.000) 2.371 25.340 ( 2.259 3.839 0.000) 4.454 25.739 ( -5.937 -10.258 0.000) 11.852 26.926 ( -1.983 -1.568 0.000) 2.528 26.972 ( 1.301 -0.073 0.000) 1.303 27.075 ( 0.838 -1.284 0.000) 1.533 27.170 ( -0.924 4.944 0.000) 5.030 27.232 ( -1.967 -0.934 0.000) 2.177 27.238 ( -0.201 -1.787 0.000) 1.798 27.295 ( 2.108 -1.533 0.000) 2.606 27.328 ( 1.414 -2.025 0.000) 2.470 27.420 ( -1.314 2.305 0.000) 2.653 27.442 ( -0.689 1.194 0.000) 1.378 27.536 ( 1.308 1.166 0.000) 1.753 27.575 ( -1.040 0.372 0.000) 1.104 27.643 ( -0.308 -2.649 0.000) 2.667 27.690 ( 1.120 2.051 0.000) 2.337 27.732 ( 0.685 0.973 0.000) 1.190 27.772 ( 2.010 2.927 0.000) 3.551 27.783 ( 3.490 3.486 0.000) 4.932 27.816 ( -0.758 2.608 0.000) 2.715 27.882 ( 2.570 1.854 0.000) 3.170 27.977 ( 2.344 -0.436 0.000) 2.385 27.980 ( -1.348 -1.705 0.000) 2.174 28.023 ( -2.045 3.248 0.000) 3.838 28.075 ( 2.702 0.672 0.000) 2.784 28.117 ( 0.754 1.882 0.000) 2.027 28.137 ( -1.569 2.197 0.000) 2.700 28.209 ( 3.408 6.731 0.000) 7.544 28.225 ( 4.953 0.534 0.000) 4.981 28.280 ( 1.041 6.666 0.000) 6.747 28.393 ( 3.297 4.821 0.000) 5.840 28.456 ( -1.061 -1.593 0.000) 1.914 29.681 ( -2.306 -3.957 0.000) 4.580 30.114 ( -3.551 -6.128 0.000) 7.083 30.361 ( -4.340 -7.539 0.000) 8.699 30.511 ( -3.179 -5.553 0.000) 6.399 30.751 ( -0.232 -0.340 0.000) 0.412 30.944 ( -2.288 -4.116 0.000) 4.709 ======================= Grid point 9 (6/24) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 8.700 13.034 0.000) 15.671 1.531 ( 0.525 -4.323 0.000) 4.355 1.776 ( -2.443 7.976 0.000) 8.341 1.853 ( 3.473 4.596 0.000) 5.760 1.915 ( 6.968 6.377 0.000) 9.446 2.070 ( 1.008 6.059 0.000) 6.142 2.260 ( -9.415 -1.770 0.000) 9.580 2.303 ( -0.634 -1.576 0.000) 1.699 2.380 ( 2.390 1.728 0.000) 2.949 2.553 ( 2.071 2.192 0.000) 3.016 2.565 ( 0.554 7.695 0.000) 7.715 2.609 ( 4.466 2.612 0.000) 5.174 2.656 ( -0.440 2.941 0.000) 2.974 2.763 ( -2.134 5.245 0.000) 5.663 2.835 ( 11.208 -0.624 0.000) 11.225 2.858 ( -3.922 2.887 0.000) 4.870 2.896 ( -3.717 1.034 0.000) 3.859 2.959 ( 6.460 1.233 0.000) 6.576 2.990 ( 1.049 4.725 0.000) 4.840 3.047 ( -1.669 6.261 0.000) 6.479 3.094 ( 1.314 3.514 0.000) 3.751 3.155 ( 0.313 -0.397 0.000) 0.505 3.208 ( 2.396 -1.070 0.000) 2.624 3.271 ( 7.949 7.787 0.000) 11.128 3.346 ( 2.664 3.944 0.000) 4.759 3.396 ( 2.225 -0.090 0.000) 2.227 3.477 ( 3.865 -1.639 0.000) 4.198 3.510 ( 0.658 2.211 0.000) 2.307 3.531 ( -2.865 -0.888 0.000) 3.000 3.623 ( 2.902 6.250 0.000) 6.891 3.745 ( -2.598 4.543 0.000) 5.233 3.788 ( -1.363 -3.655 0.000) 3.901 3.821 ( 2.489 -3.756 0.000) 4.506 3.857 ( 3.875 -3.176 0.000) 5.011 3.944 ( 1.299 2.092 0.000) 2.463 3.987 ( -1.511 -9.286 0.000) 9.408 4.007 ( 0.765 -3.248 0.000) 3.337 4.038 ( 0.827 -0.285 0.000) 0.875 4.145 ( 3.540 4.400 0.000) 5.647 4.191 ( -1.545 -1.921 0.000) 2.466 4.215 ( -2.837 -3.146 0.000) 4.237 4.239 ( 2.228 2.671 0.000) 3.478 4.293 ( 0.885 -1.737 0.000) 1.950 4.324 ( -1.598 3.866 0.000) 4.183 4.364 ( -0.864 2.621 0.000) 2.760 4.407 ( -1.598 0.428 0.000) 1.655 4.422 ( -2.969 -3.379 0.000) 4.499 4.461 ( -3.412 -1.831 0.000) 3.873 4.474 ( -0.853 -1.026 0.000) 1.334 4.481 ( -5.391 -8.087 0.000) 9.719 4.570 ( 0.987 -1.727 0.000) 1.989 4.583 ( -1.665 -3.506 0.000) 3.881 4.668 ( -2.092 2.057 0.000) 2.934 4.725 ( -0.883 -0.103 0.000) 0.889 4.759 ( -0.549 1.908 0.000) 1.985 4.785 ( -3.920 0.623 0.000) 3.970 4.840 ( 4.437 3.215 0.000) 5.479 4.860 ( -0.827 -1.953 0.000) 2.121 4.904 ( -2.815 -1.738 0.000) 3.309 4.956 ( 3.722 -5.182 0.000) 6.380 5.004 ( -4.254 -0.307 0.000) 4.265 5.048 ( 2.306 -0.431 0.000) 2.346 5.104 ( -4.445 -0.486 0.000) 4.471 5.168 ( 0.096 2.956 0.000) 2.958 5.254 ( 1.295 2.059 0.000) 2.432 5.276 ( -0.838 -0.983 0.000) 1.292 5.328 ( -2.273 -6.324 0.000) 6.720 5.347 ( 4.356 -6.610 0.000) 7.916 5.384 ( -4.285 -1.394 0.000) 4.506 5.442 ( -1.795 -3.945 0.000) 4.334 5.511 ( -2.235 2.110 0.000) 3.073 5.589 ( 1.453 -4.149 0.000) 4.396 5.601 ( -2.027 -3.190 0.000) 3.780 5.661 ( 0.996 -5.563 0.000) 5.651 5.731 ( 0.929 -3.661 0.000) 3.777 5.813 ( -1.892 1.168 0.000) 2.224 5.864 ( 3.435 -1.160 0.000) 3.625 5.869 ( 0.509 -2.592 0.000) 2.642 5.956 ( -2.980 -2.994 0.000) 4.224 6.041 ( 0.544 -3.454 0.000) 3.497 6.085 ( 1.874 -6.463 0.000) 6.729 6.162 ( -2.916 4.751 0.000) 5.575 6.218 ( -3.174 9.123 0.000) 9.659 6.350 ( 2.665 2.515 0.000) 3.664 6.392 ( -0.009 -3.189 0.000) 3.189 6.411 ( 1.986 -1.143 0.000) 2.291 6.502 ( 1.150 -0.732 0.000) 1.363 6.530 ( 3.433 0.012 0.000) 3.433 6.567 ( -3.869 -1.014 0.000) 3.999 6.580 ( 1.452 -0.027 0.000) 1.452 6.676 ( -3.288 0.656 0.000) 3.353 6.737 ( -4.874 2.976 0.000) 5.711 6.761 ( -7.336 5.224 0.000) 9.006 6.821 ( -1.975 3.046 0.000) 3.631 6.849 ( 1.096 1.920 0.000) 2.211 6.901 ( -1.781 -1.496 0.000) 2.326 6.933 ( 5.806 -1.355 0.000) 5.962 6.986 ( 1.363 -5.774 0.000) 5.933 7.071 ( 1.792 -6.273 0.000) 6.524 7.127 ( -2.710 -1.253 0.000) 2.986 7.176 ( -0.153 -0.368 0.000) 0.399 7.198 ( -3.571 -0.604 0.000) 3.622 7.210 ( -1.250 -1.833 0.000) 2.218 7.271 ( 2.572 -1.804 0.000) 3.141 7.289 ( -1.662 0.486 0.000) 1.731 7.413 ( -1.447 6.196 0.000) 6.363 7.429 ( -7.721 -1.259 0.000) 7.823 7.479 ( 6.261 -2.800 0.000) 6.859 7.861 ( 1.232 3.953 0.000) 4.140 7.901 ( 3.230 -0.427 0.000) 3.258 7.948 ( -2.907 1.125 0.000) 3.117 7.986 ( 1.572 2.332 0.000) 2.813 8.034 ( 0.679 -1.028 0.000) 1.232 8.136 ( -1.733 5.156 0.000) 5.439 8.198 ( 0.527 -0.318 0.000) 0.616 8.248 ( 2.440 0.425 0.000) 2.477 8.272 ( -0.049 2.924 0.000) 2.925 8.337 ( -0.312 1.876 0.000) 1.901 8.414 ( 0.656 1.945 0.000) 2.053 8.541 ( 7.474 -6.774 0.000) 10.087 8.795 ( -3.060 1.295 0.000) 3.323 8.810 ( 3.290 -0.691 0.000) 3.362 8.951 ( -0.109 -3.294 0.000) 3.296 9.022 ( 1.069 3.189 0.000) 3.363 9.122 ( -2.163 -2.265 0.000) 3.132 9.155 ( -5.038 1.183 0.000) 5.175 9.310 ( 0.962 3.253 0.000) 3.392 9.522 ( 0.045 -3.073 0.000) 3.073 9.530 ( 0.240 -2.588 0.000) 2.599 9.557 ( -2.773 0.368 0.000) 2.798 9.590 ( 0.405 -1.819 0.000) 1.864 9.650 ( 0.164 0.014 0.000) 0.165 9.694 ( 0.626 -3.013 0.000) 3.077 9.803 ( 3.666 0.274 0.000) 3.676 9.843 ( -1.604 1.083 0.000) 1.936 9.952 ( 3.873 -1.171 0.000) 4.047 9.976 ( -3.005 -0.674 0.000) 3.079 9.992 ( -2.165 -0.234 0.000) 2.177 10.056 ( -2.555 -3.766 0.000) 4.550 10.162 ( 0.854 1.238 0.000) 1.504 10.259 ( 2.033 1.457 0.000) 2.501 10.339 ( 0.668 5.531 0.000) 5.571 10.510 ( 0.338 -0.358 0.000) 0.493 10.617 ( -2.249 -3.726 0.000) 4.352 11.198 ( 0.470 1.481 0.000) 1.554 11.291 ( -1.988 -2.590 0.000) 3.265 11.369 ( 0.937 -0.226 0.000) 0.964 11.633 ( 0.837 -0.584 0.000) 1.021 11.772 ( 1.133 4.417 0.000) 4.560 11.912 ( -1.464 -1.907 0.000) 2.404 12.625 ( 0.010 -0.253 0.000) 0.253 12.640 ( -0.535 -0.791 0.000) 0.955 12.721 ( 0.375 0.717 0.000) 0.810 13.329 ( -2.512 0.549 0.000) 2.571 13.383 ( -1.528 0.736 0.000) 1.696 13.405 ( 1.290 -2.033 0.000) 2.408 13.489 ( 0.479 0.798 0.000) 0.931 13.507 ( 0.837 -3.740 0.000) 3.833 13.681 ( -0.076 0.473 0.000) 0.479 13.755 ( -0.078 -2.657 0.000) 2.658 14.014 ( -0.067 -0.058 0.000) 0.088 14.176 ( 0.253 -2.307 0.000) 2.320 14.230 ( -1.587 1.383 0.000) 2.105 14.282 ( 0.543 0.979 0.000) 1.119 14.299 ( 0.120 1.836 0.000) 1.840 14.503 ( -4.282 3.076 0.000) 5.272 14.542 ( 4.282 -0.462 0.000) 4.307 14.685 ( -0.302 3.910 0.000) 3.922 14.725 ( 1.335 -4.234 0.000) 4.440 14.815 ( 2.845 2.735 0.000) 3.946 14.896 ( -0.746 -0.340 0.000) 0.820 15.071 ( -1.288 2.197 0.000) 2.546 15.136 ( 1.347 -0.302 0.000) 1.381 15.236 ( -1.012 2.160 0.000) 2.385 15.275 ( -0.584 1.474 0.000) 1.586 15.367 ( -0.542 -0.436 0.000) 0.695 15.407 ( 1.929 -3.612 0.000) 4.095 15.600 ( 1.223 1.248 0.000) 1.748 15.626 ( -0.721 0.717 0.000) 1.017 15.655 ( 0.125 -1.097 0.000) 1.104 16.036 ( 0.608 -1.347 0.000) 1.478 16.190 ( -0.328 2.257 0.000) 2.281 16.284 ( 0.291 -1.541 0.000) 1.568 16.368 ( -1.282 1.619 0.000) 2.065 16.414 ( 0.598 -0.671 0.000) 0.899 16.429 ( 1.029 0.758 0.000) 1.278 20.501 ( -0.281 -0.673 0.000) 0.729 20.562 ( -0.955 1.116 0.000) 1.468 20.623 ( 1.936 -0.593 0.000) 2.025 20.655 ( -1.170 -1.930 0.000) 2.257 21.047 ( -0.650 2.184 0.000) 2.279 21.119 ( 0.806 -0.686 0.000) 1.058 25.021 ( -0.056 -2.504 0.000) 2.505 25.148 ( -1.037 2.445 0.000) 2.656 25.237 ( 0.498 -1.301 0.000) 1.393 25.346 ( 0.261 1.200 0.000) 1.228 25.425 ( 3.075 2.757 0.000) 4.130 25.563 ( -4.336 -5.040 0.000) 6.648 26.893 ( 0.137 -1.290 0.000) 1.297 26.997 ( 0.341 0.808 0.000) 0.877 27.055 ( -0.066 -2.591 0.000) 2.592 27.174 ( -1.976 1.632 0.000) 2.563 27.201 ( -0.471 -0.263 0.000) 0.540 27.225 ( 0.693 1.233 0.000) 1.415 27.325 ( -0.387 0.411 0.000) 0.564 27.344 ( 0.297 -1.234 0.000) 1.269 27.382 ( 1.300 -2.321 0.000) 2.661 27.471 ( -0.362 3.292 0.000) 3.312 27.549 ( 0.152 -0.205 0.000) 0.255 27.580 ( 0.445 0.662 0.000) 0.798 27.617 ( -0.626 -0.425 0.000) 0.757 27.689 ( -1.176 0.036 0.000) 1.177 27.781 ( 2.531 0.996 0.000) 2.720 27.811 ( -1.364 0.583 0.000) 1.483 27.834 ( 2.053 1.741 0.000) 2.692 27.878 ( 2.025 0.908 0.000) 2.219 27.910 ( -0.319 -2.723 0.000) 2.741 27.954 ( -0.271 -0.703 0.000) 0.753 27.999 ( -0.037 1.883 0.000) 1.884 28.017 ( 0.121 2.562 0.000) 2.565 28.086 ( -1.622 -0.323 0.000) 1.654 28.124 ( -0.557 3.546 0.000) 3.590 28.229 ( 4.578 2.169 0.000) 5.065 28.272 ( 2.203 -2.146 0.000) 3.076 28.299 ( 0.767 0.422 0.000) 0.875 28.373 ( 0.690 5.868 0.000) 5.908 28.426 ( -0.850 -0.255 0.000) 0.888 28.485 ( 1.821 2.123 0.000) 2.797 29.613 ( -1.189 -1.867 0.000) 2.214 30.037 ( -0.758 -0.295 0.000) 0.813 30.205 ( -3.403 -6.316 0.000) 7.175 30.414 ( -1.734 -2.990 0.000) 3.456 30.753 ( 0.069 1.073 0.000) 1.075 30.864 ( -1.402 -3.506 0.000) 3.776 ======================= Grid point 10 (7/24) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( -14.789 -0.604 0.000) 14.801 1.509 ( -2.021 -1.322 0.000) 2.415 1.740 ( -13.215 3.520 0.000) 13.676 1.809 ( 2.394 0.994 0.000) 2.592 2.044 ( -2.707 -7.090 0.000) 7.589 2.094 ( -5.567 3.157 0.000) 6.400 2.258 ( 6.043 9.140 0.000) 10.957 2.300 ( -0.275 0.626 0.000) 0.684 2.378 ( 0.875 -1.751 0.000) 1.957 2.531 ( -5.426 0.889 0.000) 5.499 2.581 ( -7.258 -1.234 0.000) 7.362 2.611 ( -5.672 -1.194 0.000) 5.797 2.648 ( -3.854 1.561 0.000) 4.158 2.682 ( -2.831 2.263 0.000) 3.624 2.827 ( -1.157 1.794 0.000) 2.135 2.849 ( -3.820 2.401 0.000) 4.512 2.930 ( -5.805 -0.268 0.000) 5.811 2.947 ( -4.805 -0.753 0.000) 4.864 3.021 ( -5.874 0.155 0.000) 5.876 3.069 ( 0.620 0.966 0.000) 1.148 3.093 ( 0.621 3.691 0.000) 3.743 3.162 ( -0.002 -6.861 0.000) 6.861 3.188 ( 3.440 0.824 0.000) 3.537 3.322 ( -5.559 -1.173 0.000) 5.682 3.346 ( -13.384 -6.560 0.000) 14.905 3.384 ( -5.526 -0.330 0.000) 5.535 3.438 ( -3.985 -3.124 0.000) 5.063 3.517 ( 2.859 -0.732 0.000) 2.951 3.581 ( 2.600 3.042 0.000) 4.002 3.656 ( -1.574 5.114 0.000) 5.351 3.707 ( -2.716 -0.479 0.000) 2.758 3.747 ( 1.580 -1.507 0.000) 2.183 3.814 ( -7.862 -1.003 0.000) 7.925 3.844 ( 3.497 -0.825 0.000) 3.593 3.897 ( -1.463 -2.266 0.000) 2.698 3.961 ( 9.499 -1.235 0.000) 9.579 4.012 ( 6.501 -2.280 0.000) 6.890 4.078 ( -3.183 -3.960 0.000) 5.081 4.126 ( -2.959 -1.625 0.000) 3.376 4.215 ( 4.665 2.048 0.000) 5.095 4.220 ( 2.154 1.304 0.000) 2.518 4.250 ( -0.509 0.735 0.000) 0.895 4.255 ( -0.038 -2.099 0.000) 2.099 4.349 ( -0.728 3.518 0.000) 3.592 4.374 ( -3.799 1.196 0.000) 3.982 4.422 ( -1.712 -0.984 0.000) 1.974 4.433 ( -0.460 1.984 0.000) 2.036 4.457 ( 4.020 -0.893 0.000) 4.118 4.498 ( 9.567 0.109 0.000) 9.567 4.505 ( 6.254 0.873 0.000) 6.315 4.547 ( 1.272 -1.403 0.000) 1.894 4.604 ( 2.716 -0.826 0.000) 2.839 4.651 ( 1.706 5.178 0.000) 5.452 4.711 ( 0.794 2.024 0.000) 2.174 4.768 ( -0.576 2.853 0.000) 2.910 4.773 ( -2.628 1.955 0.000) 3.275 4.787 ( -0.156 -2.422 0.000) 2.427 4.874 ( -0.055 -2.858 0.000) 2.859 4.913 ( 1.877 -1.001 0.000) 2.127 4.977 ( -0.087 0.248 0.000) 0.263 5.005 ( 4.927 0.484 0.000) 4.951 5.076 ( 1.121 3.531 0.000) 3.705 5.121 ( -3.842 -2.545 0.000) 4.608 5.179 ( 2.544 0.638 0.000) 2.623 5.227 ( -0.722 2.483 0.000) 2.586 5.273 ( -1.677 0.505 0.000) 1.752 5.293 ( 8.780 -2.923 0.000) 9.254 5.352 ( 1.316 -3.574 0.000) 3.809 5.379 ( 3.275 -0.396 0.000) 3.299 5.441 ( 4.522 1.317 0.000) 4.709 5.541 ( 2.692 -0.924 0.000) 2.847 5.590 ( 3.613 1.903 0.000) 4.083 5.631 ( 6.079 -4.911 0.000) 7.815 5.658 ( 1.709 -0.680 0.000) 1.839 5.744 ( 1.470 -3.677 0.000) 3.960 5.776 ( 0.063 0.207 0.000) 0.216 5.857 ( -0.964 1.132 0.000) 1.487 5.871 ( 3.060 -3.940 0.000) 4.989 5.951 ( 3.971 0.246 0.000) 3.979 6.018 ( -2.720 -0.287 0.000) 2.735 6.057 ( 4.659 -3.173 0.000) 5.637 6.182 ( -2.974 4.796 0.000) 5.643 6.245 ( -1.621 4.333 0.000) 4.627 6.290 ( -6.277 2.664 0.000) 6.819 6.372 ( -0.714 -1.678 0.000) 1.823 6.439 ( -1.062 -2.872 0.000) 3.062 6.477 ( 2.349 -0.185 0.000) 2.356 6.509 ( -7.287 0.398 0.000) 7.298 6.535 ( 0.687 0.208 0.000) 0.717 6.627 ( 4.474 -2.269 0.000) 5.016 6.685 ( 2.777 1.557 0.000) 3.183 6.756 ( -2.721 5.674 0.000) 6.292 6.772 ( 5.130 6.507 0.000) 8.286 6.827 ( -3.590 6.348 0.000) 7.293 6.904 ( 3.598 -0.948 0.000) 3.721 6.934 ( 4.857 -4.146 0.000) 6.386 6.972 ( 2.508 -9.582 0.000) 9.905 6.996 ( 0.644 -4.560 0.000) 4.605 7.009 ( -1.026 0.502 0.000) 1.143 7.082 ( 2.082 1.812 0.000) 2.760 7.144 ( -0.507 6.505 0.000) 6.525 7.201 ( 0.925 1.852 0.000) 2.070 7.248 ( 3.956 -2.684 0.000) 4.781 7.264 ( 0.581 -0.428 0.000) 0.722 7.291 ( -2.137 -0.602 0.000) 2.220 7.360 ( 2.177 2.882 0.000) 3.612 7.432 ( -2.876 3.055 0.000) 4.196 7.540 ( 3.835 -2.952 0.000) 4.840 7.871 ( -4.320 0.263 0.000) 4.328 7.892 ( -1.141 -1.750 0.000) 2.089 7.912 ( -2.464 3.135 0.000) 3.987 7.997 ( -2.441 0.183 0.000) 2.448 8.032 ( 0.792 -1.581 0.000) 1.769 8.128 ( -3.491 2.796 0.000) 4.473 8.172 ( -2.279 -0.243 0.000) 2.292 8.236 ( -1.669 -0.121 0.000) 1.673 8.327 ( 1.627 1.079 0.000) 1.952 8.379 ( 0.725 2.794 0.000) 2.887 8.408 ( -2.674 1.355 0.000) 2.998 8.502 ( -0.550 -12.599 0.000) 12.611 8.765 ( -1.015 0.795 0.000) 1.289 8.842 ( 1.320 -1.268 0.000) 1.830 8.958 ( 1.619 -1.699 0.000) 2.347 9.023 ( -2.886 0.740 0.000) 2.979 9.106 ( -1.202 1.517 0.000) 1.935 9.140 ( 4.663 4.610 0.000) 6.557 9.351 ( -1.061 0.439 0.000) 1.148 9.516 ( 1.177 0.147 0.000) 1.186 9.527 ( 2.738 -3.264 0.000) 4.261 9.552 ( 1.023 1.910 0.000) 2.167 9.605 ( 2.187 -0.692 0.000) 2.294 9.645 ( 0.890 -0.118 0.000) 0.898 9.698 ( 2.619 -2.351 0.000) 3.520 9.777 ( -4.237 -1.999 0.000) 4.685 9.838 ( -0.526 2.114 0.000) 2.179 9.931 ( -0.866 -1.366 0.000) 1.617 9.995 ( 0.860 1.469 0.000) 1.702 10.023 ( 4.447 -1.128 0.000) 4.588 10.057 ( 5.010 -0.206 0.000) 5.014 10.167 ( -1.159 0.301 0.000) 1.198 10.198 ( -6.956 1.271 0.000) 7.071 10.379 ( -3.411 0.554 0.000) 3.456 10.517 ( 0.633 -0.784 0.000) 1.008 10.607 ( 4.190 0.429 0.000) 4.212 11.199 ( -1.479 0.308 0.000) 1.510 11.288 ( 3.038 0.459 0.000) 3.072 11.369 ( -0.195 -0.910 0.000) 0.931 11.633 ( 0.028 -0.970 0.000) 0.970 11.773 ( -4.233 1.178 0.000) 4.394 11.914 ( 2.463 0.265 0.000) 2.477 12.627 ( 0.266 -0.228 0.000) 0.351 12.638 ( 0.872 0.169 0.000) 0.888 12.721 ( -0.778 0.024 0.000) 0.778 13.326 ( 0.564 2.419 0.000) 2.484 13.381 ( 0.051 1.820 0.000) 1.820 13.406 ( 1.095 -2.341 0.000) 2.585 13.490 ( -1.068 0.273 0.000) 1.103 13.515 ( 3.607 -2.920 0.000) 4.641 13.680 ( -0.511 0.410 0.000) 0.655 13.754 ( 2.319 -1.283 0.000) 2.650 14.014 ( 0.110 0.017 0.000) 0.111 14.164 ( 0.711 -0.545 0.000) 0.895 14.253 ( 1.964 1.183 0.000) 2.293 14.289 ( 0.715 -1.207 0.000) 1.403 14.296 ( -3.433 1.535 0.000) 3.761 14.461 ( -3.311 3.394 0.000) 4.742 14.566 ( -0.458 -1.431 0.000) 1.503 14.684 ( -3.030 2.104 0.000) 3.689 14.736 ( 3.733 -3.629 0.000) 5.207 14.823 ( -4.057 -1.426 0.000) 4.301 14.885 ( 0.401 1.125 0.000) 1.195 15.070 ( -1.282 2.200 0.000) 2.546 15.136 ( -0.399 -1.298 0.000) 1.358 15.244 ( -1.396 2.381 0.000) 2.760 15.272 ( -0.376 0.635 0.000) 0.738 15.358 ( -0.241 0.078 0.000) 0.253 15.415 ( 2.890 -3.254 0.000) 4.352 15.585 ( -2.548 0.139 0.000) 2.552 15.637 ( 0.417 0.820 0.000) 0.919 15.653 ( 0.471 -0.877 0.000) 0.995 16.039 ( 1.165 -1.377 0.000) 1.804 16.181 ( -2.252 1.659 0.000) 2.797 16.289 ( 1.030 -1.039 0.000) 1.463 16.363 ( -0.978 1.893 0.000) 2.131 16.406 ( -0.366 -0.670 0.000) 0.763 16.440 ( -0.204 -0.644 0.000) 0.675 20.501 ( 0.727 -0.092 0.000) 0.732 20.558 ( -0.702 1.328 0.000) 1.502 20.623 ( -0.345 -1.601 0.000) 1.638 20.660 ( 2.444 -0.303 0.000) 2.463 21.045 ( -1.687 1.665 0.000) 2.370 21.120 ( 0.255 -1.026 0.000) 1.058 25.019 ( 2.020 -1.111 0.000) 2.305 25.152 ( -1.271 2.039 0.000) 2.403 25.235 ( 0.768 -1.111 0.000) 1.350 25.346 ( -1.164 0.375 0.000) 1.223 25.423 ( -3.941 -1.215 0.000) 4.124 25.564 ( 6.501 1.183 0.000) 6.607 26.900 ( 1.732 -1.119 0.000) 2.062 26.985 ( -1.817 0.692 0.000) 1.944 27.051 ( 1.459 -0.917 0.000) 1.724 27.182 ( 1.876 0.847 0.000) 2.058 27.208 ( 0.546 0.766 0.000) 0.941 27.262 ( -1.134 4.422 0.000) 4.566 27.269 ( -1.748 -3.442 0.000) 3.860 27.326 ( -0.600 -1.116 0.000) 1.268 27.410 ( 2.349 -1.346 0.000) 2.707 27.482 ( -1.376 1.272 0.000) 1.874 27.558 ( -1.308 -0.809 0.000) 1.538 27.578 ( 2.372 0.197 0.000) 2.380 27.608 ( -1.616 0.922 0.000) 1.861 27.688 ( 0.769 0.831 0.000) 1.132 27.768 ( -1.927 -1.077 0.000) 2.207 27.816 ( -1.310 0.678 0.000) 1.475 27.855 ( -1.696 -0.708 0.000) 1.838 27.865 ( -1.046 -2.187 0.000) 2.424 27.896 ( 0.464 0.613 0.000) 0.769 27.938 ( -0.000 0.301 0.000) 0.301 27.995 ( -2.043 1.465 0.000) 2.514 28.040 ( 0.204 -1.149 0.000) 1.167 28.090 ( 0.778 2.181 0.000) 2.316 28.145 ( -1.158 2.815 0.000) 3.044 28.218 ( -4.947 -3.176 0.000) 5.879 28.247 ( -0.764 -2.585 0.000) 2.696 28.306 ( -0.977 -0.730 0.000) 1.219 28.393 ( -4.276 1.811 0.000) 4.643 28.419 ( 0.705 0.516 0.000) 0.874 28.483 ( -2.670 -0.519 0.000) 2.720 29.614 ( 2.228 0.089 0.000) 2.230 30.037 ( 0.643 0.499 0.000) 0.814 30.204 ( 7.165 -0.203 0.000) 7.168 30.414 ( 3.429 0.018 0.000) 3.429 30.754 ( -0.943 0.461 0.000) 1.050 30.863 ( 3.680 -0.510 0.000) 3.715 ======================= Grid point 15 (8/24) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( -0.090 -0.180 0.000) 0.202 1.492 ( 0.090 0.180 0.000) 0.202 1.789 ( -0.000 -0.000 0.000) 0.000 1.974 ( -1.558 -3.117 0.000) 3.484 1.974 ( 1.558 3.117 0.000) 3.484 2.206 ( -0.000 -0.000 0.000) 0.000 2.220 ( -0.000 -0.000 0.000) 0.000 2.319 ( -0.949 -1.897 0.000) 2.121 2.319 ( 0.949 1.897 0.000) 2.121 2.616 ( 0.000 0.000 0.000) 0.000 2.624 ( -1.257 -2.514 0.000) 2.810 2.624 ( 1.257 2.514 0.000) 2.810 2.747 ( -1.918 -3.835 0.000) 4.288 2.747 ( 1.918 3.835 0.000) 4.288 2.788 ( -0.000 -0.000 0.000) 0.000 2.935 ( -0.375 -0.750 0.000) 0.839 2.935 ( 0.375 0.750 0.000) 0.839 3.022 ( -2.164 -4.327 0.000) 4.838 3.022 ( 2.164 4.327 0.000) 4.838 3.026 ( 0.000 0.000 0.000) 0.000 3.128 ( -0.000 -0.000 0.000) 0.000 3.221 ( -1.721 -3.441 0.000) 3.847 3.221 ( 1.721 3.441 0.000) 3.847 3.382 ( -0.000 0.000 0.000) 0.000 3.426 ( -1.076 -2.152 0.000) 2.406 3.426 ( 1.076 2.152 0.000) 2.406 3.481 ( -0.993 -1.986 0.000) 2.221 3.481 ( 0.993 1.986 0.000) 2.221 3.588 ( -0.000 -0.000 0.000) 0.000 3.669 ( -1.130 -2.260 0.000) 2.527 3.669 ( 1.130 2.260 0.000) 2.527 3.742 ( -0.000 0.000 0.000) 0.000 3.849 ( -0.000 0.000 0.000) 0.000 3.852 ( -0.024 -0.049 0.000) 0.055 3.852 ( 0.024 0.049 0.000) 0.055 3.882 ( 0.000 -0.000 0.000) 0.000 4.048 ( -1.623 -3.246 0.000) 3.629 4.048 ( 1.623 3.246 0.000) 3.629 4.082 ( -0.000 0.000 0.000) 0.000 4.223 ( 0.000 -0.000 0.000) 0.000 4.238 ( -1.950 -3.899 0.000) 4.360 4.238 ( 1.950 3.899 0.000) 4.360 4.267 ( 0.000 0.000 0.000) 0.000 4.328 ( 0.000 -0.000 0.000) 0.000 4.361 ( -2.508 -5.015 0.000) 5.607 4.361 ( 2.508 5.015 0.000) 5.607 4.426 ( -0.817 -1.633 0.000) 1.826 4.426 ( 0.817 1.633 0.000) 1.826 4.473 ( 0.000 -0.000 0.000) 0.000 4.494 ( 0.000 0.000 0.000) 0.000 4.533 ( -1.280 -2.560 0.000) 2.862 4.533 ( 1.280 2.560 0.000) 2.862 4.704 ( -0.290 -0.580 0.000) 0.649 4.704 ( 0.290 0.580 0.000) 0.649 4.777 ( 0.000 -0.000 0.000) 0.000 4.803 ( -0.118 -0.236 0.000) 0.264 4.803 ( 0.118 0.236 0.000) 0.264 4.830 ( -0.000 -0.000 0.000) 0.000 4.894 ( -0.000 -0.000 0.000) 0.000 5.002 ( -2.906 -5.812 0.000) 6.498 5.002 ( 2.906 5.812 0.000) 6.498 5.094 ( -0.000 -0.000 0.000) 0.000 5.114 ( -1.992 -3.984 0.000) 4.454 5.114 ( 1.992 3.984 0.000) 4.454 5.160 ( -0.000 -0.000 0.000) 0.000 5.280 ( -0.760 -1.520 0.000) 1.699 5.280 ( 0.760 1.520 0.000) 1.699 5.336 ( -0.000 0.000 0.000) 0.000 5.353 ( -1.241 -2.481 0.000) 2.774 5.353 ( 1.241 2.481 0.000) 2.774 5.532 ( -0.000 -0.000 0.000) 0.000 5.550 ( -1.296 -2.592 0.000) 2.898 5.550 ( 1.296 2.592 0.000) 2.898 5.591 ( -0.000 -0.000 0.000) 0.000 5.751 ( -0.833 -1.666 0.000) 1.863 5.751 ( 0.833 1.666 0.000) 1.863 5.832 ( -0.000 -0.000 0.000) 0.000 5.943 ( -1.201 -2.402 0.000) 2.685 5.943 ( 1.201 2.402 0.000) 2.685 5.971 ( -1.542 -3.084 0.000) 3.448 5.971 ( 1.542 3.084 0.000) 3.448 6.282 ( -2.289 -4.577 0.000) 5.118 6.282 ( 2.289 4.577 0.000) 5.118 6.342 ( -0.000 -0.000 0.000) 0.000 6.389 ( -2.390 -4.780 0.000) 5.344 6.389 ( 2.390 4.780 0.000) 5.344 6.507 ( -1.237 -2.474 0.000) 2.767 6.507 ( 1.237 2.474 0.000) 2.767 6.540 ( -0.000 -0.000 0.000) 0.000 6.660 ( -0.000 -0.000 0.000) 0.000 6.706 ( -3.256 -6.511 0.000) 7.280 6.706 ( 3.256 6.511 0.000) 7.280 6.808 ( -0.000 -0.000 0.000) 0.000 6.877 ( -0.603 -1.206 0.000) 1.348 6.877 ( 0.603 1.206 0.000) 1.348 6.895 ( 0.000 -0.000 0.000) 0.000 6.920 ( -1.374 -2.747 0.000) 3.071 6.920 ( 1.374 2.747 0.000) 3.071 7.070 ( 0.000 -0.000 0.000) 0.000 7.114 ( -0.718 -1.437 0.000) 1.606 7.114 ( 0.718 1.437 0.000) 1.606 7.179 ( -0.612 -1.223 0.000) 1.368 7.179 ( 0.612 1.223 0.000) 1.368 7.202 ( -0.000 -0.000 0.000) 0.000 7.381 ( 0.000 -0.000 0.000) 0.000 7.408 ( -1.598 -3.196 0.000) 3.574 7.408 ( 1.598 3.196 0.000) 3.574 7.478 ( -0.000 -0.000 0.000) 0.000 7.890 ( -0.000 -0.000 0.000) 0.000 7.945 ( -0.702 -1.405 0.000) 1.570 7.945 ( 0.702 1.405 0.000) 1.570 8.021 ( -0.096 -0.193 0.000) 0.215 8.021 ( 0.096 0.193 0.000) 0.215 8.181 ( -0.000 -0.000 0.000) 0.000 8.216 ( -0.000 -0.000 0.000) 0.000 8.282 ( -0.883 -1.766 0.000) 1.975 8.282 ( 0.883 1.766 0.000) 1.975 8.387 ( -1.526 -3.051 0.000) 3.411 8.387 ( 1.526 3.051 0.000) 3.411 8.447 ( -0.000 -0.000 0.000) 0.000 8.813 ( -0.338 -0.675 0.000) 0.755 8.813 ( 0.338 0.675 0.000) 0.755 8.892 ( 0.000 -0.000 0.000) 0.000 9.090 ( -1.175 -2.351 0.000) 2.628 9.090 ( 1.175 2.351 0.000) 2.628 9.151 ( -0.000 -0.000 0.000) 0.000 9.400 ( -2.454 -4.908 0.000) 5.487 9.400 ( 2.454 4.908 0.000) 5.487 9.520 ( -0.000 -0.000 0.000) 0.000 9.571 ( -0.227 -0.455 0.000) 0.509 9.571 ( 0.227 0.455 0.000) 0.509 9.634 ( -0.000 -0.000 0.000) 0.000 9.666 ( -0.000 -0.000 0.000) 0.000 9.818 ( -0.000 -0.000 0.000) 0.000 9.862 ( -0.000 -0.000 0.000) 0.000 9.946 ( -0.579 -1.159 0.000) 1.295 9.946 ( 0.579 1.159 0.000) 1.295 10.002 ( -0.095 -0.190 0.000) 0.212 10.002 ( 0.095 0.190 0.000) 0.212 10.164 ( -0.000 -0.000 0.000) 0.000 10.342 ( -2.282 -4.564 0.000) 5.103 10.342 ( 2.282 4.564 0.000) 5.103 10.543 ( -1.442 -2.885 0.000) 3.225 10.543 ( 1.442 2.885 0.000) 3.225 11.237 ( -1.036 -2.071 0.000) 2.316 11.237 ( 1.036 2.071 0.000) 2.316 11.368 ( -0.000 -0.000 0.000) 0.000 11.626 ( -0.000 -0.000 0.000) 0.000 11.858 ( -1.555 -3.109 0.000) 3.477 11.858 ( 1.555 3.109 0.000) 3.477 12.627 ( -0.080 -0.161 0.000) 0.180 12.627 ( 0.080 0.161 0.000) 0.180 12.729 ( -0.000 -0.000 0.000) 0.000 13.361 ( -0.741 -1.482 0.000) 1.657 13.361 ( 0.741 1.482 0.000) 1.657 13.423 ( -1.313 -2.626 0.000) 2.936 13.423 ( 1.313 2.626 0.000) 2.936 13.507 ( -0.000 -0.000 0.000) 0.000 13.703 ( -0.853 -1.706 0.000) 1.908 13.703 ( 0.853 1.706 0.000) 1.908 14.014 ( -0.000 -0.000 0.000) 0.000 14.153 ( -0.000 -0.000 0.000) 0.000 14.256 ( -0.540 -1.080 0.000) 1.207 14.256 ( 0.540 1.080 0.000) 1.207 14.346 ( -0.000 -0.000 0.000) 0.000 14.525 ( -0.000 -0.000 0.000) 0.000 14.614 ( -2.526 -5.051 0.000) 5.648 14.614 ( 2.526 5.051 0.000) 5.648 14.728 ( -0.000 -0.000 0.000) 0.000 14.869 ( -0.838 -1.676 0.000) 1.874 14.869 ( 0.838 1.676 0.000) 1.874 15.114 ( -0.552 -1.104 0.000) 1.235 15.114 ( 0.552 1.104 0.000) 1.235 15.291 ( -0.439 -0.878 0.000) 0.981 15.291 ( 0.439 0.878 0.000) 0.981 15.341 ( 0.000 -0.000 0.000) 0.000 15.357 ( -0.000 -0.000 0.000) 0.000 15.621 ( 0.000 -0.000 0.000) 0.000 15.635 ( -0.730 -1.461 0.000) 1.633 15.635 ( 0.730 1.461 0.000) 1.633 16.022 ( -0.000 -0.000 0.000) 0.000 16.241 ( -1.155 -2.310 0.000) 2.583 16.241 ( 1.155 2.310 0.000) 2.583 16.376 ( -0.000 -0.000 0.000) 0.000 16.425 ( -0.481 -0.962 0.000) 1.076 16.425 ( 0.481 0.962 0.000) 1.076 20.493 ( -0.000 -0.000 0.000) 0.000 20.596 ( -0.928 -1.856 0.000) 2.076 20.596 ( 0.928 1.856 0.000) 2.076 20.631 ( -0.000 -0.000 0.000) 0.000 21.092 ( -0.866 -1.732 0.000) 1.936 21.092 ( 0.866 1.732 0.000) 1.936 24.993 ( -0.000 -0.000 0.000) 0.000 25.198 ( -0.958 -1.915 0.000) 2.141 25.198 ( 0.958 1.915 0.000) 2.141 25.361 ( -0.000 -0.000 0.000) 0.000 25.482 ( -1.309 -2.617 0.000) 2.926 25.482 ( 1.309 2.617 0.000) 2.926 26.878 ( -0.000 -0.000 0.000) 0.000 27.017 ( -0.413 -0.826 0.000) 0.923 27.017 ( 0.413 0.826 0.000) 0.923 27.184 ( -0.318 -0.635 0.000) 0.710 27.184 ( 0.318 0.635 0.000) 0.710 27.306 ( -1.264 -2.529 0.000) 2.827 27.306 ( 1.264 2.529 0.000) 2.827 27.327 ( -0.000 -0.000 0.000) 0.000 27.344 ( 0.000 -0.000 0.000) 0.000 27.497 ( -0.000 -0.000 0.000) 0.000 27.563 ( -0.094 -0.189 0.000) 0.211 27.563 ( 0.094 0.189 0.000) 0.211 27.658 ( -0.591 -1.182 0.000) 1.321 27.658 ( 0.591 1.182 0.000) 1.321 27.798 ( -0.000 -0.000 0.000) 0.000 27.835 ( -0.452 -0.903 0.000) 1.010 27.835 ( 0.452 0.903 0.000) 1.010 27.849 ( -0.000 -0.000 0.000) 0.000 27.919 ( -0.943 -1.886 0.000) 2.108 27.919 ( 0.943 1.886 0.000) 2.108 28.015 ( -0.000 -0.000 0.000) 0.000 28.087 ( -0.205 -0.410 0.000) 0.458 28.087 ( 0.205 0.410 0.000) 0.458 28.187 ( -0.000 -0.000 0.000) 0.000 28.222 ( -0.000 -0.000 0.000) 0.000 28.266 ( -1.204 -2.408 0.000) 2.692 28.266 ( 1.204 2.408 0.000) 2.692 28.418 ( -0.000 -0.000 0.000) 0.000 28.481 ( -1.229 -2.457 0.000) 2.747 28.481 ( 1.229 2.457 0.000) 2.747 29.593 ( -0.000 -0.000 0.000) 0.000 30.084 ( -2.091 -4.181 0.000) 4.675 30.084 ( 2.091 4.181 0.000) 4.675 30.379 ( 0.000 -0.000 0.000) 0.000 30.795 ( -1.290 -2.580 0.000) 2.884 30.795 ( 1.290 2.580 0.000) 2.884 ======================= Grid point 43 (9/24) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 16 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.557 ( 0.000 0.000 29.350) 29.350 0.566 ( -0.000 0.000 30.495) 30.495 1.125 ( -0.000 0.000 59.027) 59.027 1.456 ( -0.000 0.000 -17.785) 17.785 1.509 ( 0.000 -0.000 -17.362) 17.362 1.988 ( -0.000 0.000 2.218) 2.218 2.047 ( -0.000 0.000 0.128) 0.128 2.069 ( 0.000 -0.000 -0.249) 0.249 2.086 ( 0.000 0.000 2.353) 2.353 2.093 ( -0.000 0.000 1.177) 1.177 2.124 ( 0.000 -0.000 1.710) 1.710 2.643 ( -0.000 0.000 0.788) 0.788 2.669 ( -0.000 -0.000 3.140) 3.140 2.671 ( 0.000 0.000 -0.761) 0.761 2.715 ( -0.000 0.000 1.432) 1.432 2.727 ( 0.000 0.000 -15.488) 15.488 2.779 ( 0.000 0.000 1.147) 1.147 2.926 ( 0.000 0.000 7.979) 7.979 2.932 ( -0.000 -0.000 5.337) 5.337 2.952 ( 0.000 0.000 9.051) 9.051 2.960 ( 0.000 0.000 6.504) 6.504 3.126 ( 0.000 -0.000 -13.480) 13.480 3.156 ( -0.000 0.000 7.696) 7.696 3.349 ( -0.000 0.000 -1.328) 1.328 3.393 ( -0.000 -0.000 -2.858) 2.858 3.399 ( -0.000 0.000 -3.248) 3.248 3.421 ( 0.000 0.000 -1.351) 1.351 3.449 ( 0.000 0.000 -2.446) 2.446 3.635 ( -0.000 -0.000 3.367) 3.367 3.646 ( 0.000 0.000 1.770) 1.770 3.778 ( 0.000 0.000 2.900) 2.900 3.862 ( 0.000 0.000 -2.447) 2.447 3.913 ( 0.000 0.000 -12.770) 12.770 3.944 ( -0.000 0.000 -1.455) 1.455 3.968 ( 0.000 -0.000 -13.812) 13.812 3.998 ( 0.000 0.000 1.666) 1.666 4.025 ( 0.000 -0.000 2.276) 2.276 4.030 ( 0.000 -0.000 3.870) 3.870 4.133 ( 0.000 0.000 -10.878) 10.878 4.148 ( -0.000 0.000 0.085) 0.085 4.151 ( 0.000 0.000 -3.711) 3.711 4.216 ( -0.000 0.000 -2.164) 2.164 4.218 ( 0.000 0.000 -2.760) 2.760 4.255 ( 0.000 0.000 1.592) 1.592 4.313 ( 0.000 0.000 -2.079) 2.079 4.335 ( -0.000 -0.000 -4.218) 4.218 4.355 ( 0.000 0.000 -5.317) 5.317 4.388 ( 0.000 0.000 -5.135) 5.135 4.393 ( 0.000 -0.000 6.271) 6.271 4.458 ( 0.000 0.000 2.654) 2.654 4.475 ( 0.000 -0.000 -2.779) 2.779 4.485 ( -0.000 0.000 -4.804) 4.804 4.622 ( 0.000 0.000 -2.593) 2.593 4.727 ( 0.000 0.000 -4.363) 4.363 4.806 ( 0.000 0.000 5.274) 5.274 4.813 ( 0.000 0.000 2.968) 2.968 4.927 ( 0.000 -0.000 0.326) 0.326 4.936 ( 0.000 -0.000 -1.410) 1.410 4.951 ( 0.000 0.000 9.346) 9.346 4.972 ( 0.000 0.000 2.256) 2.256 4.993 ( 0.000 0.000 3.193) 3.193 5.036 ( 0.000 0.000 8.667) 8.667 5.075 ( 0.000 0.000 -0.134) 0.134 5.161 ( 0.000 0.000 -3.412) 3.412 5.264 ( 0.000 0.000 -6.258) 6.258 5.294 ( 0.000 0.000 -10.397) 10.397 5.467 ( 0.000 0.000 1.563) 1.563 5.497 ( 0.000 0.000 -1.694) 1.694 5.524 ( 0.000 0.000 -1.466) 1.466 5.527 ( 0.000 0.000 -2.163) 2.163 5.908 ( -0.000 0.000 4.059) 4.059 5.947 ( 0.000 0.000 15.315) 15.315 5.948 ( 0.000 0.000 4.391) 4.391 5.965 ( -0.000 0.000 3.745) 3.745 5.979 ( 0.000 0.000 4.616) 4.616 6.132 ( 0.000 0.000 -0.126) 0.126 6.174 ( 0.000 0.000 -2.420) 2.420 6.192 ( 0.000 0.000 13.768) 13.768 6.231 ( -0.000 0.000 -3.379) 3.379 6.239 ( 0.000 0.000 0.210) 0.210 6.247 ( -0.000 0.000 4.098) 4.098 6.315 ( 0.000 0.000 -6.271) 6.271 6.317 ( -0.000 -0.000 -0.696) 0.696 6.372 ( 0.000 0.000 3.199) 3.199 6.385 ( 0.000 -0.000 2.080) 2.080 6.420 ( 0.000 0.000 0.372) 0.372 6.429 ( 0.000 -0.000 -0.446) 0.446 6.610 ( -0.000 0.000 5.559) 5.559 6.617 ( -0.000 0.000 2.073) 2.073 6.683 ( 0.000 0.000 -1.081) 1.081 6.744 ( 0.000 0.000 0.490) 0.490 6.762 ( 0.000 0.000 -4.103) 4.103 6.785 ( -0.000 0.000 -0.863) 0.863 6.808 ( 0.000 0.000 -1.983) 1.983 6.906 ( 0.000 0.000 -2.890) 2.890 6.936 ( 0.000 0.000 5.803) 5.803 7.009 ( 0.000 0.000 7.570) 7.570 7.101 ( 0.000 0.000 -16.097) 16.097 7.173 ( -0.000 -0.000 -3.965) 3.965 7.212 ( 0.000 0.000 -1.371) 1.371 7.213 ( -0.000 0.000 -0.942) 0.942 7.223 ( -0.000 -0.000 -0.989) 0.989 7.310 ( 0.000 0.000 -1.747) 1.747 7.316 ( 0.000 -0.000 -0.457) 0.457 7.363 ( 0.000 0.000 -2.295) 2.295 7.398 ( 0.000 0.000 -4.379) 4.379 7.442 ( 0.000 0.000 1.771) 1.771 7.488 ( -0.000 0.000 -0.107) 0.107 7.707 ( 0.000 0.000 10.807) 10.807 7.874 ( 0.000 0.000 1.997) 1.997 7.876 ( -0.000 0.000 0.724) 0.724 7.980 ( 0.000 0.000 2.955) 2.955 7.991 ( 0.000 -0.000 2.695) 2.695 8.005 ( 0.000 -0.000 -4.996) 4.996 8.037 ( 0.000 -0.000 -3.927) 3.927 8.056 ( -0.000 0.000 -8.356) 8.356 8.129 ( -0.000 0.000 -4.171) 4.171 8.131 ( 0.000 0.000 -4.356) 4.356 8.330 ( -0.000 0.000 6.566) 6.566 8.534 ( -0.000 0.000 -3.967) 3.967 8.759 ( 0.000 0.000 3.154) 3.154 8.770 ( 0.000 -0.000 3.592) 3.592 8.815 ( 0.000 0.000 -0.109) 0.109 8.816 ( 0.000 0.000 0.196) 0.196 8.998 ( 0.000 0.000 0.666) 0.666 9.083 ( 0.000 0.000 -2.731) 2.731 9.287 ( 0.000 0.000 0.703) 0.703 9.307 ( 0.000 -0.000 1.208) 1.208 9.448 ( 0.000 0.000 -5.962) 5.962 9.450 ( 0.000 -0.000 -6.649) 6.649 9.714 ( -0.000 -0.000 5.300) 5.300 9.720 ( 0.000 -0.000 5.122) 5.122 9.893 ( -0.000 -0.000 -3.083) 3.083 9.897 ( 0.000 0.000 -1.381) 1.381 9.905 ( 0.000 0.000 -3.143) 3.143 10.003 ( 0.000 -0.000 3.518) 3.518 10.006 ( -0.000 0.000 -3.312) 3.312 10.032 ( 0.000 0.000 4.519) 4.519 10.041 ( -0.000 0.000 1.221) 1.221 10.070 ( 0.000 -0.000 2.076) 2.076 10.188 ( 0.000 -0.000 9.566) 9.566 10.324 ( 0.000 0.000 -1.025) 1.025 10.554 ( -0.000 0.000 2.642) 2.642 10.800 ( 0.000 0.000 -6.726) 6.726 11.182 ( -0.000 0.000 3.053) 3.053 11.191 ( 0.000 0.000 3.222) 3.222 11.455 ( 0.000 -0.000 -9.487) 9.487 11.455 ( -0.000 -0.000 -9.340) 9.340 11.694 ( 0.000 0.000 7.817) 7.817 11.976 ( 0.000 0.000 -4.923) 4.923 12.778 ( 0.000 0.000 11.154) 11.154 12.790 ( 0.000 0.000 11.808) 11.808 13.221 ( 0.000 0.000 4.322) 4.322 13.233 ( -0.000 0.000 -11.231) 11.231 13.262 ( 0.000 0.000 -11.038) 11.038 13.440 ( 0.000 -0.000 -5.248) 5.248 13.631 ( 0.000 0.000 0.605) 0.605 13.634 ( 0.000 0.000 0.628) 0.628 13.658 ( 0.000 0.000 0.909) 0.909 13.671 ( -0.000 0.000 0.381) 0.381 14.044 ( 0.000 0.000 0.659) 0.659 14.055 ( 0.000 -0.000 0.071) 0.071 14.415 ( 0.000 0.000 8.894) 8.894 14.420 ( 0.000 0.000 3.432) 3.432 14.421 ( -0.000 0.000 3.498) 3.498 14.425 ( 0.000 -0.000 9.281) 9.281 14.535 ( 0.000 0.000 3.526) 3.526 14.667 ( -0.000 0.000 -2.851) 2.851 14.668 ( 0.000 0.000 -2.786) 2.786 14.705 ( 0.000 0.000 -3.874) 3.874 14.950 ( 0.000 0.000 -9.943) 9.943 14.959 ( -0.000 0.000 -9.575) 9.575 15.276 ( -0.000 0.000 4.024) 4.024 15.277 ( -0.000 0.000 3.984) 3.984 15.394 ( 0.000 0.000 0.578) 0.578 15.403 ( -0.000 0.000 0.094) 0.094 15.412 ( 0.000 0.000 -2.089) 2.089 15.416 ( 0.000 0.000 -2.091) 2.091 15.813 ( 0.000 -0.000 1.001) 1.001 15.861 ( 0.000 0.000 -1.063) 1.063 16.147 ( 0.000 0.000 1.542) 1.542 16.167 ( 0.000 -0.000 2.283) 2.283 16.210 ( 0.000 -0.000 -1.247) 1.247 16.227 ( -0.000 0.000 -0.486) 0.486 16.396 ( 0.000 -0.000 0.163) 0.163 16.407 ( 0.000 0.000 -0.299) 0.299 20.566 ( 0.000 0.000 0.071) 0.071 20.578 ( 0.000 -0.000 0.609) 0.609 20.594 ( 0.000 0.000 -1.135) 1.135 20.607 ( 0.000 -0.000 -0.598) 0.598 21.007 ( 0.000 -0.000 1.482) 1.482 21.080 ( 0.000 0.000 -1.681) 1.681 25.172 ( -0.000 -0.000 0.167) 0.167 25.189 ( 0.000 0.000 0.922) 0.922 25.195 ( 0.000 0.000 -0.809) 0.809 25.212 ( 0.000 0.000 -0.055) 0.055 25.966 ( 0.000 -0.000 2.670) 2.670 26.085 ( 0.000 0.000 -2.473) 2.473 26.975 ( 0.000 0.000 -1.432) 1.432 26.980 ( 0.000 0.000 -1.663) 1.663 27.049 ( 0.000 0.000 1.696) 1.696 27.053 ( 0.000 0.000 1.453) 1.453 27.248 ( -0.000 0.000 0.202) 0.202 27.264 ( 0.000 0.000 -0.124) 0.124 27.272 ( -0.000 -0.000 1.124) 1.124 27.283 ( 0.000 -0.000 0.804) 0.804 27.434 ( -0.000 -0.000 0.279) 0.279 27.446 ( 0.000 0.000 0.845) 0.845 27.511 ( 0.000 -0.000 -3.026) 3.026 27.512 ( 0.000 0.000 -0.650) 0.650 27.528 ( 0.000 -0.000 -2.538) 2.538 27.530 ( 0.000 0.000 -2.376) 2.376 27.731 ( -0.000 0.000 0.818) 0.818 27.747 ( 0.000 0.000 0.735) 0.735 27.759 ( -0.000 0.000 1.845) 1.845 27.765 ( 0.000 0.000 1.616) 1.616 27.807 ( 0.000 0.000 6.867) 6.867 27.963 ( -0.000 0.000 -1.076) 1.076 27.975 ( -0.000 0.000 -0.759) 0.759 27.985 ( 0.000 -0.000 -2.537) 2.537 27.986 ( -0.000 -0.000 -2.448) 2.448 28.037 ( 0.000 0.000 -3.697) 3.697 28.128 ( -0.000 0.000 2.805) 2.805 28.151 ( 0.000 0.000 3.530) 3.530 28.208 ( 0.000 -0.000 -1.376) 1.376 28.229 ( 0.000 0.000 -0.511) 0.511 28.260 ( -0.000 0.000 3.310) 3.310 28.458 ( 0.000 0.000 -5.065) 5.065 29.807 ( -0.000 0.000 1.208) 1.208 29.812 ( 0.000 -0.000 0.824) 0.824 30.363 ( -0.000 0.000 5.167) 5.167 30.606 ( 0.000 0.000 -5.007) 5.007 30.793 ( 0.000 0.000 3.979) 3.979 30.999 ( 0.000 0.000 -4.666) 4.666 ======================= Grid point 44 (10/24) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 22.903 14.058 17.362) 31.994 1.047 ( 18.232 10.357 29.873) 36.498 1.452 ( 32.183 17.617 28.389) 46.390 1.572 ( 6.809 5.516 -10.256) 13.490 1.688 ( 10.875 5.130 -9.682) 15.437 1.941 ( 0.593 -0.986 -0.092) 1.154 1.990 ( -3.154 -1.504 2.108) 4.081 2.090 ( 2.392 1.882 0.229) 3.052 2.146 ( 5.224 3.096 -2.137) 6.438 2.221 ( 9.752 5.840 -0.255) 11.370 2.248 ( 7.988 4.915 -0.305) 9.384 2.562 ( -4.660 -3.416 3.221) 6.615 2.625 ( -1.120 0.301 -2.836) 3.064 2.652 ( -0.486 0.343 2.074) 2.158 2.755 ( 1.811 0.952 -0.259) 2.063 2.769 ( 1.839 0.815 -1.998) 2.835 2.795 ( 0.852 -0.430 1.777) 2.017 2.921 ( -0.216 1.352 3.129) 3.415 2.944 ( 0.048 0.135 5.877) 5.879 2.971 ( 2.886 0.493 4.938) 5.741 3.014 ( 1.705 0.794 6.240) 6.518 3.087 ( -1.317 -0.181 4.340) 4.539 3.130 ( 1.471 -0.132 -9.003) 9.123 3.314 ( -1.574 0.208 -3.413) 3.764 3.383 ( 0.609 0.966 0.254) 1.170 3.412 ( -3.002 0.091 -0.692) 3.082 3.453 ( 4.037 -1.434 -3.706) 5.665 3.487 ( 1.916 1.793 -3.735) 4.565 3.569 ( -4.066 -2.733 5.452) 7.330 3.639 ( 0.230 -0.374 3.817) 3.842 3.739 ( -1.585 -0.268 0.689) 1.749 3.777 ( -5.096 -3.533 -3.932) 7.342 3.847 ( -3.407 0.070 0.911) 3.527 3.875 ( -3.452 -0.441 2.139) 4.085 3.935 ( -0.327 -2.751 -2.406) 3.669 3.999 ( -1.749 -2.488 -3.368) 4.538 4.029 ( -2.318 -2.168 -7.087) 7.765 4.061 ( -0.894 6.126 -6.037) 8.647 4.088 ( 1.841 -3.247 -3.606) 5.190 4.126 ( 0.170 0.187 -3.046) 3.057 4.146 ( 0.930 1.223 -1.137) 1.911 4.185 ( -0.355 -0.529 -3.377) 3.436 4.260 ( 1.203 0.632 -1.118) 1.760 4.303 ( 0.793 -1.507 -3.077) 3.517 4.326 ( -1.864 0.565 -4.176) 4.608 4.343 ( 1.787 -0.388 -0.859) 2.021 4.379 ( 0.513 2.540 -3.345) 4.232 4.395 ( 1.008 1.043 -0.961) 1.740 4.453 ( 4.797 1.309 -2.591) 5.607 4.471 ( 4.226 1.193 -1.809) 4.749 4.510 ( 3.601 1.285 -0.743) 3.895 4.623 ( 5.320 5.493 1.906) 7.881 4.681 ( 2.466 1.559 -2.174) 3.638 4.754 ( 2.360 0.608 -3.219) 4.037 4.795 ( -1.157 -0.546 4.311) 4.497 4.848 ( 2.301 1.935 4.714) 5.591 4.906 ( -1.918 -0.619 2.075) 2.893 4.934 ( -1.172 0.930 2.971) 3.327 4.951 ( 1.810 -2.927 1.786) 3.877 4.995 ( -1.489 0.235 2.039) 2.536 5.020 ( 2.166 2.881 1.498) 3.903 5.057 ( 3.867 0.614 2.254) 4.518 5.089 ( -0.834 -0.721 -0.834) 1.382 5.120 ( 2.369 1.782 3.586) 4.653 5.289 ( -0.252 -0.020 -7.028) 7.032 5.327 ( 2.042 1.199 -8.394) 8.722 5.438 ( -6.252 -3.621 1.239) 7.331 5.466 ( -1.357 -0.361 0.639) 1.543 5.555 ( 0.556 -0.971 -1.470) 1.848 5.567 ( 1.563 1.339 -3.174) 3.782 5.644 ( -8.903 -4.602 4.417) 10.952 5.770 ( -13.703 -9.127 0.735) 16.481 5.854 ( -8.377 -3.404 3.866) 9.834 5.888 ( -6.621 -6.547 2.750) 9.709 5.974 ( -7.813 -3.857 1.781) 8.893 6.030 ( -2.112 1.879 7.249) 7.780 6.081 ( -9.524 -4.914 9.175) 14.108 6.103 ( -7.384 -4.962 7.564) 11.677 6.150 ( -4.988 -2.961 3.485) 6.767 6.186 ( -6.168 -3.903 2.966) 7.879 6.215 ( -0.638 -2.559 0.734) 2.738 6.253 ( -2.858 1.075 2.153) 3.736 6.299 ( -3.063 -4.917 1.861) 6.084 6.311 ( -1.942 -3.436 3.135) 5.040 6.378 ( -3.414 -0.447 4.181) 5.416 6.412 ( -2.045 1.969 -0.031) 2.839 6.466 ( 4.430 2.127 3.434) 5.995 6.528 ( -2.472 1.443 -1.755) 3.358 6.613 ( -0.417 0.371 0.606) 0.824 6.632 ( -1.012 -0.056 -0.691) 1.227 6.650 ( -1.028 -4.099 -1.636) 4.531 6.725 ( -2.907 0.022 -2.192) 3.641 6.772 ( 1.395 -0.067 -0.359) 1.442 6.804 ( 1.840 0.648 -1.906) 2.727 6.861 ( -0.114 -0.944 1.769) 2.008 6.960 ( 0.534 -0.610 2.063) 2.217 7.019 ( 2.006 1.657 -1.206) 2.868 7.072 ( -0.290 1.731 -0.038) 1.755 7.144 ( -1.207 -2.893 -1.748) 3.590 7.155 ( -2.324 -2.130 -3.951) 5.054 7.211 ( -0.990 -0.084 -0.792) 1.271 7.238 ( -1.650 -0.607 0.014) 1.758 7.266 ( -0.335 0.296 -1.707) 1.764 7.279 ( -0.086 -0.936 -2.062) 2.267 7.388 ( -2.082 -0.737 -1.569) 2.709 7.445 ( -2.401 -0.459 -0.550) 2.506 7.481 ( 1.710 -0.777 -2.080) 2.803 7.498 ( -3.139 -0.916 0.790) 3.364 7.799 ( 1.747 1.870 2.119) 3.323 7.844 ( 0.806 -3.829 -0.462) 3.940 7.907 ( -0.940 0.391 1.327) 1.673 7.929 ( -1.269 4.615 -1.132) 4.919 7.984 ( 0.515 0.458 -0.050) 0.691 8.028 ( 1.797 1.521 0.147) 2.358 8.073 ( 3.604 -0.883 -6.094) 7.135 8.105 ( -1.516 0.802 -3.328) 3.743 8.171 ( 6.187 2.630 -3.457) 7.559 8.264 ( 5.142 -0.367 -2.372) 5.675 8.356 ( 2.602 2.462 2.454) 4.342 8.486 ( -1.797 0.827 0.973) 2.204 8.751 ( 0.017 0.400 1.384) 1.440 8.825 ( 1.613 -1.504 -1.002) 2.422 8.871 ( 2.820 3.095 0.184) 4.191 8.973 ( 6.522 4.289 -9.598) 12.371 9.102 ( 0.375 0.203 -0.707) 0.825 9.128 ( 5.358 2.802 -1.883) 6.332 9.272 ( -0.163 -0.835 2.639) 2.772 9.368 ( 4.206 3.100 -7.933) 9.499 9.473 ( 0.879 1.660 -6.578) 6.841 9.490 ( 3.872 1.103 -7.269) 8.310 9.680 ( -3.226 -1.104 4.713) 5.817 9.720 ( 0.501 -1.181 5.962) 6.098 9.838 ( -4.006 0.356 -2.335) 4.650 9.874 ( -1.324 -3.818 1.553) 4.329 9.931 ( -0.547 1.804 -0.507) 1.952 9.949 ( 1.300 -0.210 -1.444) 1.954 10.035 ( -0.776 0.050 1.458) 1.653 10.048 ( 2.303 0.334 2.093) 3.130 10.082 ( 0.252 0.359 1.981) 2.029 10.113 ( 2.051 1.417 -2.321) 3.406 10.170 ( -0.902 -0.395 8.053) 8.113 10.306 ( -1.412 -0.866 1.145) 2.014 10.498 ( -1.134 -0.734 4.250) 4.460 10.743 ( -4.376 -2.521 -6.897) 8.548 11.194 ( 0.735 0.455 3.528) 3.632 11.250 ( 3.493 1.998 -1.089) 4.169 11.457 ( -0.365 0.015 -6.509) 6.519 11.483 ( 2.338 1.124 -9.530) 9.877 11.641 ( -3.377 -1.978 4.796) 6.191 11.921 ( -3.683 -2.123 -6.164) 7.488 12.776 ( -0.313 -0.236 11.616) 11.623 12.801 ( 1.023 0.668 11.803) 11.866 12.993 ( -8.979 -5.203 14.298) 17.667 13.259 ( 1.175 0.548 -10.376) 10.457 13.304 ( 0.923 0.661 -8.265) 8.343 13.416 ( -1.742 -1.008 -5.743) 6.086 13.530 ( -6.879 -3.419 1.220) 7.778 13.621 ( -2.228 -2.985 -2.102) 4.277 13.652 ( 0.552 1.426 0.868) 1.758 13.724 ( 2.209 1.277 -3.806) 4.582 14.049 ( -0.125 -0.052 1.940) 1.945 14.104 ( 3.884 2.220 -0.661) 4.522 14.349 ( -3.357 -0.778 7.781) 8.510 14.380 ( -0.027 -2.117 9.859) 10.084 14.479 ( 0.903 3.331 6.332) 7.211 14.499 ( 4.287 1.035 3.694) 5.753 14.570 ( -3.193 -1.864 -2.136) 4.270 14.617 ( 4.793 1.190 1.197) 5.081 14.654 ( -1.485 0.468 -1.329) 2.047 14.792 ( 3.445 1.831 -1.877) 4.329 14.940 ( -1.048 -1.638 -8.573) 8.791 14.959 ( -0.814 0.654 -9.875) 9.930 15.084 ( -12.141 -7.207 20.786) 25.127 15.271 ( -0.336 -0.096 4.021) 4.036 15.353 ( -1.419 -2.195 1.136) 2.849 15.386 ( -2.295 1.583 1.788) 3.312 15.419 ( 1.235 -1.842 -1.646) 2.761 15.470 ( 2.453 2.397 -1.799) 3.873 15.547 ( -1.483 -0.813 6.009) 6.242 15.746 ( -4.775 -2.773 -2.308) 5.984 16.139 ( -0.521 -0.207 4.118) 4.156 16.172 ( 1.005 0.092 2.756) 2.935 16.252 ( 1.729 2.217 -1.493) 3.183 16.291 ( 2.199 0.617 -1.828) 2.925 16.386 ( -0.118 0.009 0.024) 0.121 16.409 ( 0.320 0.008 -0.680) 0.751 20.549 ( -1.339 -0.874 0.172) 1.608 20.568 ( -0.633 -0.163 0.587) 0.878 20.600 ( 0.067 0.045 -1.482) 1.484 20.639 ( 0.909 0.410 -5.144) 5.239 21.013 ( 0.525 0.305 1.174) 1.322 21.080 ( 0.392 0.226 -1.900) 1.954 25.143 ( -1.602 -0.779 2.073) 2.733 25.165 ( -0.756 -0.628 2.091) 2.310 25.236 ( 2.146 1.285 -1.795) 3.079 25.254 ( 2.486 1.434 -1.476) 3.227 25.533 ( -13.198 -7.617 18.013) 23.594 25.896 ( -12.165 -7.024 -4.256) 14.678 26.953 ( -0.527 -0.392 0.348) 0.743 27.016 ( -0.480 -0.872 1.936) 2.177 27.035 ( 1.330 2.002 -1.883) 3.053 27.103 ( 2.359 0.619 -0.646) 2.523 27.254 ( -0.510 0.070 1.313) 1.410 27.273 ( 0.242 -1.032 0.364) 1.121 27.295 ( -0.212 1.722 0.241) 1.752 27.335 ( 2.520 0.201 -1.305) 2.845 27.390 ( -2.964 -0.655 2.263) 3.786 27.475 ( -0.159 -1.705 -0.230) 1.727 27.504 ( 1.084 1.568 -0.299) 1.930 27.549 ( 1.440 0.737 -2.828) 3.257 27.589 ( 4.273 2.330 -1.636) 5.134 27.659 ( 4.115 2.980 -2.722) 5.764 27.736 ( 1.134 0.432 1.331) 1.801 27.750 ( -0.096 0.149 2.099) 2.106 27.774 ( 1.140 -0.072 2.208) 2.486 27.813 ( 2.431 1.682 1.293) 3.227 27.836 ( 3.003 1.771 3.372) 4.850 27.952 ( -0.600 -0.210 -0.683) 0.933 27.987 ( 0.937 -0.161 0.047) 0.952 28.010 ( 0.061 1.997 -0.956) 2.215 28.030 ( 3.048 0.550 -2.186) 3.791 28.068 ( 4.496 2.347 -2.776) 5.781 28.124 ( -1.871 0.317 3.236) 3.751 28.150 ( 1.969 -0.962 1.733) 2.794 28.195 ( 2.535 2.602 3.149) 4.808 28.254 ( 1.590 0.642 2.726) 3.221 28.293 ( 3.437 1.964 -0.794) 4.037 28.441 ( -1.235 -0.736 -4.555) 4.777 29.775 ( -2.190 -1.264 3.167) 4.053 30.177 ( 11.452 6.629 -23.268) 26.768 30.292 ( -5.336 -3.085 6.358) 8.856 30.538 ( -5.289 -3.052 -3.159) 6.876 30.754 ( -2.783 -1.608 1.778) 3.673 30.957 ( -3.355 -1.930 -5.194) 6.477 ======================= Grid point 45 (11/24) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( 11.745 6.640 22.879) 26.561 1.477 ( 14.073 13.919 10.334) 22.329 1.679 ( 4.437 1.359 4.555) 6.502 1.784 ( 1.892 1.729 -2.593) 3.646 1.917 ( 4.510 -3.467 0.118) 5.690 2.060 ( 4.577 -0.201 1.486) 4.816 2.198 ( 9.147 4.857 -2.948) 10.768 2.217 ( 4.626 1.354 -4.695) 6.729 2.312 ( 6.049 5.314 -6.311) 10.230 2.415 ( 6.941 7.892 5.323) 11.781 2.449 ( 8.232 5.175 -7.139) 12.063 2.541 ( 3.696 4.442 3.610) 6.813 2.624 ( 2.736 0.457 5.212) 5.904 2.707 ( 6.579 2.792 4.572) 8.485 2.762 ( 1.585 -0.245 1.425) 2.146 2.786 ( -1.207 1.619 1.205) 2.352 2.846 ( 2.983 2.967 -2.414) 4.851 2.935 ( 0.229 -1.727 -1.488) 2.291 2.973 ( 1.029 0.782 5.044) 5.207 3.028 ( 4.043 0.933 2.016) 4.614 3.064 ( 3.376 1.536 3.623) 5.185 3.113 ( 3.621 1.663 -2.327) 4.614 3.232 ( 4.645 3.000 -1.225) 5.664 3.261 ( -0.909 0.113 -0.579) 1.084 3.353 ( -0.148 -1.777 -1.876) 2.588 3.387 ( -3.931 -0.294 0.887) 4.041 3.442 ( -0.397 1.423 -1.280) 1.955 3.526 ( 0.697 -3.784 -1.651) 4.187 3.556 ( 3.660 1.421 3.538) 5.285 3.629 ( 1.006 -1.993 4.117) 4.683 3.686 ( -2.071 1.895 2.753) 3.932 3.748 ( -0.096 4.155 -0.490) 4.185 3.825 ( -0.720 1.842 1.122) 2.274 3.879 ( 0.800 1.168 -0.494) 1.499 3.934 ( 3.696 -0.490 -4.944) 6.192 3.968 ( 2.489 0.955 0.017) 2.666 4.003 ( -1.111 2.555 -3.791) 4.705 4.045 ( -2.447 -0.285 -1.948) 3.141 4.102 ( 1.415 0.421 -4.134) 4.389 4.155 ( -0.105 -0.131 -4.719) 4.722 4.176 ( 1.566 -0.359 -2.782) 3.213 4.230 ( 1.748 -0.220 -4.304) 4.650 4.246 ( 3.639 1.273 -2.998) 4.884 4.284 ( 0.580 0.504 -5.453) 5.507 4.342 ( -0.377 -1.603 -0.568) 1.742 4.372 ( -1.356 -2.471 0.704) 2.905 4.403 ( 3.804 1.364 -1.023) 4.169 4.446 ( -1.876 -0.784 2.091) 2.916 4.504 ( 2.656 -0.698 -0.928) 2.899 4.517 ( -0.132 0.011 -3.441) 3.444 4.580 ( 1.827 0.951 -2.864) 3.528 4.659 ( -4.524 0.878 0.912) 4.697 4.688 ( -5.424 -4.221 0.188) 6.875 4.739 ( -2.656 -3.312 0.326) 4.258 4.801 ( -3.267 0.929 4.334) 5.507 4.826 ( -1.576 0.546 2.143) 2.715 4.854 ( -3.810 -0.912 3.945) 5.560 4.916 ( -1.680 -0.100 2.793) 3.261 4.950 ( 0.069 -1.958 1.293) 2.348 4.998 ( 1.007 -0.854 -1.365) 1.899 5.043 ( -2.648 -0.273 -1.835) 3.233 5.074 ( 2.131 -0.237 -0.804) 2.290 5.115 ( -0.652 -0.567 -1.224) 1.498 5.181 ( -1.057 -0.551 1.986) 2.316 5.236 ( 0.048 0.682 2.541) 2.631 5.253 ( -3.545 -2.185 -0.581) 4.204 5.319 ( -1.117 -1.330 -3.152) 3.599 5.400 ( -3.957 -2.395 -2.144) 5.098 5.452 ( -1.262 -2.661 1.940) 3.527 5.541 ( -5.840 -1.017 2.498) 6.433 5.602 ( -4.826 -6.098 -1.232) 7.874 5.633 ( -2.636 -2.556 1.073) 3.825 5.649 ( -0.986 -0.997 -2.017) 2.456 5.734 ( -0.863 0.458 -2.062) 2.282 5.792 ( -7.103 -2.723 2.887) 8.137 5.864 ( -4.609 -2.990 5.438) 7.730 5.905 ( -2.080 -2.019 4.793) 5.602 6.016 ( -3.999 2.487 1.083) 4.832 6.064 ( -3.713 -4.296 1.865) 5.977 6.073 ( -2.531 -3.269 1.616) 4.438 6.102 ( -5.551 0.129 3.290) 6.454 6.195 ( -2.209 -0.808 4.825) 5.368 6.243 ( -3.227 -0.672 4.236) 5.367 6.297 ( 1.052 0.219 4.442) 4.570 6.341 ( -2.132 1.128 -3.067) 3.902 6.425 ( 1.130 2.759 2.728) 4.041 6.476 ( -4.279 0.510 -3.540) 5.577 6.523 ( -2.246 1.633 -1.360) 3.092 6.580 ( 0.202 2.681 2.311) 3.545 6.614 ( 1.039 -4.171 -2.738) 5.096 6.657 ( 2.020 -3.801 -0.183) 4.309 6.689 ( 0.139 -1.605 -3.484) 3.838 6.765 ( -0.599 -0.966 1.867) 2.186 6.815 ( -1.117 -0.878 -0.370) 1.468 6.905 ( -2.086 -4.018 -2.041) 4.966 6.920 ( 4.283 -0.605 0.752) 4.390 7.006 ( -0.641 -2.286 1.146) 2.636 7.054 ( -1.258 0.923 -3.066) 3.440 7.073 ( 0.111 -2.702 -2.105) 3.427 7.118 ( -4.484 -1.560 2.381) 5.311 7.185 ( -4.468 1.907 -0.519) 4.886 7.206 ( -1.959 -2.004 -0.370) 2.827 7.243 ( -3.986 1.739 -1.269) 4.530 7.274 ( -1.565 0.858 1.016) 2.054 7.299 ( 1.135 -2.152 -1.451) 2.833 7.339 ( -3.148 -3.095 -0.922) 4.510 7.441 ( -5.052 -0.182 -1.169) 5.189 7.499 ( 1.865 -2.175 -3.793) 4.754 7.829 ( 2.353 -0.841 1.614) 2.975 7.873 ( 0.334 0.713 -0.782) 1.110 7.902 ( 0.647 2.927 -0.281) 3.010 7.962 ( 1.052 4.697 -0.454) 4.835 8.029 ( 3.951 -0.212 0.472) 3.985 8.075 ( -0.629 -0.424 -0.036) 0.759 8.137 ( 5.948 1.600 -3.621) 7.145 8.179 ( 3.624 4.512 -0.129) 5.789 8.272 ( 1.963 1.020 1.944) 2.945 8.312 ( 2.661 -2.108 0.689) 3.464 8.414 ( 2.119 0.081 0.507) 2.180 8.526 ( 2.850 4.456 -3.518) 6.352 8.765 ( 0.064 1.048 -0.205) 1.070 8.834 ( 1.036 -2.034 -2.349) 3.276 8.942 ( 1.165 3.181 -0.089) 3.389 9.036 ( -2.368 1.940 -2.872) 4.197 9.052 ( -0.432 -4.324 -0.315) 4.357 9.134 ( -3.978 -1.082 -3.996) 5.741 9.306 ( 3.075 -1.003 2.801) 4.279 9.462 ( 1.663 1.524 -5.471) 5.918 9.517 ( 2.999 3.293 -4.011) 5.994 9.572 ( 1.675 0.292 -3.961) 4.311 9.612 ( -1.172 0.081 2.559) 2.816 9.688 ( -0.235 -2.873 3.478) 4.517 9.800 ( -2.698 2.234 4.620) 5.798 9.847 ( 0.765 -2.763 2.261) 3.651 9.896 ( -3.540 -0.901 4.819) 6.047 9.958 ( -1.132 1.442 -1.507) 2.373 9.982 ( -2.640 -0.977 2.017) 3.463 10.042 ( 2.194 -4.142 1.374) 4.884 10.082 ( -2.261 -0.107 -0.963) 2.460 10.132 ( 0.696 -0.429 -0.636) 1.036 10.204 ( -1.384 6.668 0.191) 6.812 10.287 ( 2.391 -3.027 -0.617) 3.907 10.522 ( 2.000 0.608 1.650) 2.663 10.638 ( -3.626 -1.823 -4.461) 6.031 11.222 ( 1.530 0.962 4.851) 5.177 11.318 ( 2.101 1.179 -0.861) 2.558 11.414 ( -3.295 -1.670 3.354) 4.989 11.539 ( 1.748 0.901 -8.549) 8.772 11.609 ( 1.511 0.628 -6.632) 6.831 11.830 ( -3.740 -2.135 -9.459) 10.394 12.771 ( 0.246 -0.170 12.356) 12.359 12.825 ( -0.459 0.963 12.285) 12.331 12.858 ( -2.158 -2.165 14.521) 14.839 13.278 ( 0.154 -0.475 -7.354) 7.371 13.323 ( 0.408 0.999 -9.819) 9.878 13.375 ( -1.422 -0.933 -6.551) 6.768 13.397 ( -3.746 -1.741 0.472) 4.158 13.543 ( -2.563 -2.239 -4.816) 5.897 13.678 ( 0.943 0.510 1.188) 1.600 13.747 ( 0.048 0.122 -2.699) 2.702 14.056 ( 0.525 0.337 3.823) 3.874 14.188 ( 2.788 1.560 -2.375) 3.981 14.291 ( -2.338 -0.484 8.287) 8.624 14.374 ( 1.949 -2.148 11.959) 12.306 14.457 ( -2.873 0.736 1.961) 3.556 14.529 ( -4.731 -0.756 10.877) 11.886 14.577 ( 2.886 0.770 0.794) 3.090 14.629 ( 2.836 1.212 3.022) 4.318 14.747 ( 5.019 2.008 -0.813) 5.467 14.828 ( -0.590 -1.536 4.493) 4.785 14.869 ( -1.029 -0.226 -0.300) 1.096 14.949 ( -0.607 1.250 -11.705) 11.787 15.002 ( 0.811 -0.443 -4.306) 4.404 15.265 ( -0.550 -0.041 3.984) 4.022 15.324 ( 0.086 -0.997 2.046) 2.277 15.372 ( -1.174 -0.993 -5.264) 5.484 15.412 ( -0.279 0.591 1.914) 2.022 15.540 ( 1.679 2.819 -2.357) 4.040 15.584 ( 1.793 0.281 -1.080) 2.112 15.644 ( -2.354 -1.749 -3.767) 4.774 16.135 ( 0.304 -0.088 6.327) 6.335 16.193 ( 0.537 0.663 3.605) 3.705 16.298 ( 0.279 1.922 -1.319) 2.348 16.312 ( 1.101 -0.711 -1.217) 1.788 16.392 ( 0.295 0.558 -1.167) 1.327 16.418 ( 0.641 -0.266 -1.591) 1.736 20.516 ( -1.089 -0.659 0.276) 1.302 20.556 ( -0.545 -0.070 0.750) 0.930 20.600 ( -0.136 0.057 -2.871) 2.875 20.640 ( -0.156 -0.474 -4.033) 4.064 21.026 ( 0.388 0.283 0.997) 1.106 21.097 ( 0.883 0.462 -2.215) 2.429 25.110 ( -1.194 -0.357 4.377) 4.551 25.152 ( -0.158 -0.496 3.015) 3.060 25.279 ( 1.514 0.706 -0.206) 1.684 25.321 ( 2.425 1.644 -2.559) 3.890 25.377 ( -2.164 -1.225 5.629) 6.153 25.635 ( -8.824 -5.120 -4.494) 11.148 26.948 ( 0.466 -0.463 2.472) 2.557 27.001 ( -0.565 0.404 2.882) 2.964 27.068 ( -0.051 1.767 -1.461) 2.293 27.138 ( 1.922 -2.069 -2.602) 3.840 27.229 ( -1.393 -0.743 1.791) 2.388 27.242 ( -2.606 -0.141 0.580) 2.674 27.288 ( -0.547 0.789 -0.701) 1.189 27.346 ( 0.397 -1.350 -3.322) 3.608 27.380 ( 0.251 2.213 1.602) 2.743 27.460 ( 0.305 -2.852 -0.989) 3.034 27.541 ( 0.830 2.988 0.594) 3.158 27.576 ( 1.849 -1.005 1.001) 2.330 27.683 ( -0.852 0.895 3.309) 3.533 27.705 ( 1.859 1.721 0.070) 2.534 27.743 ( 2.197 0.587 0.412) 2.311 27.776 ( 1.432 0.958 -0.263) 1.743 27.808 ( 2.192 1.007 1.464) 2.822 27.859 ( 1.716 -0.287 1.186) 2.106 27.895 ( 0.598 2.068 -0.035) 2.153 27.938 ( 0.186 -1.273 -1.146) 1.722 27.962 ( -1.915 0.515 -0.474) 2.039 28.054 ( 0.620 -0.886 -1.003) 1.475 28.076 ( -0.029 -1.204 -0.195) 1.220 28.130 ( 2.585 1.878 -0.103) 3.197 28.174 ( 2.176 1.502 2.240) 3.465 28.223 ( 1.905 3.547 -0.906) 4.127 28.249 ( 4.393 2.927 0.672) 5.322 28.328 ( 4.697 0.203 1.304) 4.879 28.392 ( 2.347 1.983 -2.555) 3.996 28.416 ( 0.558 0.065 -3.208) 3.257 29.734 ( -0.891 -0.469 8.608) 8.667 30.158 ( -4.701 -2.739 7.797) 9.508 30.281 ( -0.018 0.019 -12.121) 12.121 30.388 ( -6.514 -3.727 -1.947) 7.753 30.695 ( -1.587 -0.935 -3.150) 3.649 30.861 ( -4.191 -2.375 -6.360) 7.978 ======================= Grid point 46 (12/24) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 0.000 0.000 10.065) 10.065 1.670 ( 0.000 0.000 5.086) 5.086 1.739 ( 0.000 0.000 6.170) 6.170 1.858 ( 0.000 0.000 4.725) 4.725 2.018 ( 0.000 0.000 -3.250) 3.250 2.095 ( 0.000 0.000 5.885) 5.885 2.114 ( 0.000 0.000 3.046) 3.046 2.323 ( 0.000 0.000 -4.227) 4.227 2.383 ( 0.000 0.000 4.633) 4.633 2.426 ( 0.000 0.000 -7.327) 7.327 2.527 ( -0.000 0.000 -2.019) 2.019 2.575 ( 0.000 0.000 -2.024) 2.024 2.753 ( 0.000 0.000 1.940) 1.940 2.788 ( 0.000 -0.000 1.855) 1.855 2.791 ( -0.000 0.000 -1.220) 1.220 2.863 ( -0.000 0.000 -4.287) 4.287 2.870 ( 0.000 -0.000 3.838) 3.838 2.913 ( 0.000 0.000 -7.800) 7.800 2.972 ( 0.000 0.000 -0.682) 0.682 3.055 ( 0.000 0.000 4.885) 4.885 3.127 ( 0.000 -0.000 3.682) 3.682 3.156 ( -0.000 0.000 5.469) 5.469 3.295 ( 0.000 0.000 0.902) 0.902 3.305 ( -0.000 -0.000 0.499) 0.499 3.351 ( 0.000 0.000 2.247) 2.247 3.412 ( 0.000 0.000 -8.144) 8.144 3.480 ( 0.000 0.000 -2.023) 2.023 3.529 ( 0.000 0.000 -3.360) 3.360 3.603 ( 0.000 0.000 7.257) 7.257 3.632 ( -0.000 -0.000 7.327) 7.327 3.760 ( 0.000 0.000 2.515) 2.515 3.781 ( 0.000 0.000 3.494) 3.494 3.870 ( 0.000 -0.000 -1.433) 1.433 3.878 ( 0.000 0.000 -1.232) 1.232 3.966 ( -0.000 0.000 -0.011) 0.011 3.970 ( 0.000 -0.000 -3.058) 3.058 3.997 ( 0.000 0.000 -0.128) 0.128 4.094 ( 0.000 0.000 -1.332) 1.332 4.126 ( -0.000 -0.000 -5.643) 5.643 4.131 ( 0.000 -0.000 -0.385) 0.385 4.230 ( 0.000 0.000 -1.124) 1.124 4.256 ( 0.000 -0.000 -1.330) 1.330 4.259 ( -0.000 0.000 -3.989) 3.989 4.300 ( 0.000 0.000 -6.062) 6.062 4.315 ( 0.000 0.000 -3.293) 3.293 4.327 ( 0.000 0.000 -2.196) 2.196 4.383 ( 0.000 0.000 -0.977) 0.977 4.390 ( -0.000 -0.000 0.610) 0.610 4.448 ( 0.000 0.000 0.366) 0.366 4.509 ( 0.000 0.000 -1.226) 1.226 4.540 ( 0.000 -0.000 -0.816) 0.816 4.543 ( 0.000 0.000 -1.285) 1.285 4.649 ( 0.000 0.000 0.188) 0.188 4.682 ( 0.000 0.000 -1.578) 1.578 4.781 ( -0.000 -0.000 4.050) 4.050 4.784 ( 0.000 0.000 5.315) 5.315 4.864 ( -0.000 0.000 -0.950) 0.950 4.864 ( 0.000 -0.000 3.064) 3.064 4.947 ( 0.000 0.000 -1.406) 1.406 4.969 ( 0.000 -0.000 3.718) 3.718 5.039 ( 0.000 0.000 -2.283) 2.283 5.062 ( 0.000 0.000 -1.621) 1.621 5.094 ( 0.000 0.000 2.311) 2.311 5.161 ( 0.000 0.000 2.379) 2.379 5.243 ( 0.000 0.000 1.458) 1.458 5.291 ( 0.000 0.000 1.439) 1.439 5.305 ( 0.000 -0.000 -4.807) 4.807 5.360 ( 0.000 0.000 -1.726) 1.726 5.435 ( 0.000 0.000 -0.513) 0.513 5.465 ( -0.000 -0.000 1.702) 1.702 5.482 ( 0.000 -0.000 -2.220) 2.220 5.579 ( 0.000 0.000 3.653) 3.653 5.631 ( 0.000 0.000 2.357) 2.357 5.692 ( 0.000 0.000 -6.913) 6.913 5.800 ( 0.000 0.000 3.380) 3.380 5.813 ( -0.000 0.000 0.947) 0.947 5.943 ( 0.000 0.000 1.692) 1.692 5.965 ( -0.000 0.000 1.028) 1.028 5.968 ( 0.000 -0.000 1.681) 1.681 6.050 ( 0.000 -0.000 -1.463) 1.463 6.072 ( 0.000 0.000 8.387) 8.387 6.186 ( 0.000 -0.000 0.400) 0.400 6.187 ( -0.000 0.000 6.693) 6.693 6.318 ( 0.000 -0.000 -0.749) 0.749 6.346 ( -0.000 0.000 -0.203) 0.203 6.375 ( 0.000 0.000 -5.714) 5.714 6.485 ( 0.000 0.000 -2.788) 2.788 6.548 ( 0.000 0.000 -0.445) 0.445 6.580 ( 0.000 0.000 1.775) 1.775 6.614 ( 0.000 0.000 0.311) 0.311 6.618 ( 0.000 -0.000 2.511) 2.511 6.683 ( 0.000 0.000 -1.151) 1.151 6.754 ( 0.000 0.000 2.942) 2.942 6.780 ( 0.000 0.000 1.660) 1.660 6.856 ( 0.000 0.000 -3.048) 3.048 6.954 ( 0.000 0.000 -4.202) 4.202 6.979 ( 0.000 0.000 2.374) 2.374 7.038 ( 0.000 0.000 -2.913) 2.913 7.054 ( 0.000 -0.000 2.707) 2.707 7.103 ( 0.000 0.000 2.592) 2.592 7.118 ( 0.000 0.000 0.093) 0.093 7.180 ( 0.000 0.000 -3.009) 3.009 7.224 ( 0.000 0.000 -2.890) 2.890 7.241 ( 0.000 -0.000 0.217) 0.217 7.302 ( 0.000 0.000 -1.239) 1.239 7.318 ( 0.000 0.000 -1.601) 1.601 7.374 ( 0.000 0.000 0.899) 0.899 7.505 ( 0.000 0.000 -4.845) 4.845 7.850 ( 0.000 0.000 1.356) 1.356 7.871 ( 0.000 0.000 0.199) 0.199 7.947 ( 0.000 0.000 -0.665) 0.665 8.008 ( 0.000 0.000 -0.775) 0.775 8.064 ( 0.000 0.000 0.619) 0.619 8.071 ( 0.000 0.000 -0.512) 0.512 8.225 ( 0.000 0.000 -3.988) 3.988 8.261 ( -0.000 -0.000 5.901) 5.901 8.266 ( 0.000 0.000 -1.622) 1.622 8.307 ( 0.000 0.000 1.800) 1.800 8.440 ( 0.000 0.000 0.767) 0.767 8.602 ( 0.000 0.000 -7.282) 7.282 8.771 ( 0.000 0.000 0.260) 0.260 8.819 ( 0.000 0.000 -3.585) 3.585 8.979 ( 0.000 -0.000 1.273) 1.273 8.984 ( 0.000 0.000 -0.834) 0.834 9.043 ( 0.000 0.000 -2.650) 2.650 9.072 ( 0.000 0.000 -1.599) 1.599 9.329 ( 0.000 0.000 2.000) 2.000 9.473 ( 0.000 0.000 -4.806) 4.806 9.556 ( 0.000 0.000 1.222) 1.222 9.572 ( 0.000 0.000 -1.621) 1.621 9.647 ( 0.000 0.000 2.379) 2.379 9.682 ( 0.000 0.000 3.064) 3.064 9.765 ( 0.000 0.000 5.732) 5.732 9.816 ( 0.000 0.000 1.416) 1.416 9.883 ( 0.000 0.000 3.031) 3.031 9.943 ( 0.000 0.000 -0.176) 0.176 9.961 ( 0.000 0.000 0.686) 0.686 10.010 ( 0.000 0.000 -2.782) 2.782 10.090 ( 0.000 0.000 0.653) 0.653 10.115 ( 0.000 0.000 2.872) 2.872 10.237 ( 0.000 -0.000 -3.317) 3.317 10.295 ( 0.000 0.000 -3.365) 3.365 10.546 ( 0.000 0.000 1.544) 1.544 10.596 ( 0.000 0.000 -1.142) 1.142 11.252 ( 0.000 0.000 6.069) 6.069 11.339 ( 0.000 0.000 2.880) 2.880 11.364 ( 0.000 0.000 2.287) 2.287 11.557 ( 0.000 0.000 -8.451) 8.451 11.650 ( 0.000 0.000 -8.687) 8.687 11.770 ( 0.000 0.000 -11.751) 11.751 12.788 ( 0.000 0.000 13.576) 13.576 12.788 ( -0.000 -0.000 12.661) 12.661 12.853 ( 0.000 0.000 12.695) 12.695 13.267 ( 0.000 0.000 -4.589) 4.589 13.333 ( 0.000 0.000 -7.548) 7.548 13.356 ( 0.000 0.000 -1.790) 1.790 13.363 ( 0.000 0.000 -9.322) 9.322 13.506 ( 0.000 0.000 -5.303) 5.303 13.690 ( 0.000 0.000 1.021) 1.021 13.745 ( 0.000 0.000 -1.795) 1.795 14.064 ( 0.000 0.000 4.413) 4.413 14.221 ( 0.000 0.000 -2.232) 2.232 14.267 ( 0.000 0.000 6.948) 6.948 14.396 ( 0.000 0.000 10.633) 10.633 14.436 ( 0.000 0.000 4.608) 4.608 14.457 ( -0.000 0.000 12.614) 12.614 14.607 ( 0.000 0.000 -0.808) 0.808 14.677 ( 0.000 0.000 6.399) 6.399 14.792 ( 0.000 0.000 -0.028) 0.028 14.828 ( -0.000 0.000 -1.497) 1.497 14.857 ( 0.000 0.000 -1.135) 1.135 14.954 ( 0.000 0.000 -11.410) 11.410 15.013 ( 0.000 0.000 -4.474) 4.474 15.254 ( 0.000 0.000 3.232) 3.232 15.325 ( 0.000 0.000 2.229) 2.229 15.342 ( 0.000 -0.000 -11.518) 11.518 15.418 ( 0.000 0.000 4.907) 4.907 15.566 ( 0.000 0.000 -3.823) 3.823 15.589 ( 0.000 0.000 -1.276) 1.276 15.635 ( 0.000 0.000 -2.321) 2.321 16.141 ( 0.000 0.000 6.541) 6.541 16.199 ( 0.000 0.000 4.130) 4.130 16.303 ( 0.000 0.000 -0.363) 0.363 16.324 ( 0.000 0.000 -1.485) 1.485 16.400 ( 0.000 0.000 -1.906) 1.906 16.422 ( 0.000 -0.000 -1.848) 1.848 20.503 ( 0.000 0.000 0.329) 0.329 20.550 ( 0.000 0.000 0.845) 0.845 20.599 ( 0.000 0.000 -3.974) 3.974 20.635 ( 0.000 0.000 -2.852) 2.852 21.031 ( 0.000 0.000 1.113) 1.113 21.109 ( 0.000 0.000 -2.320) 2.320 25.097 ( 0.000 0.000 5.191) 5.191 25.148 ( 0.000 0.000 3.480) 3.480 25.301 ( 0.000 0.000 4.682) 4.682 25.326 ( 0.000 0.000 -1.772) 1.772 25.399 ( 0.000 0.000 -4.679) 4.679 25.509 ( 0.000 0.000 -3.329) 3.329 26.953 ( 0.000 0.000 3.631) 3.631 26.999 ( 0.000 0.000 2.267) 2.267 27.077 ( 0.000 0.000 -0.007) 0.007 27.134 ( 0.000 0.000 -2.044) 2.044 27.209 ( 0.000 0.000 -0.452) 0.452 27.218 ( 0.000 0.000 1.610) 1.610 27.299 ( 0.000 0.000 0.119) 0.119 27.336 ( 0.000 0.000 -4.300) 4.300 27.399 ( 0.000 0.000 -0.200) 0.200 27.440 ( 0.000 0.000 -1.822) 1.822 27.574 ( 0.000 0.000 2.389) 2.389 27.600 ( 0.000 0.000 1.456) 1.456 27.655 ( 0.000 0.000 5.734) 5.734 27.704 ( 0.000 0.000 3.117) 3.117 27.789 ( 0.000 0.000 -0.777) 0.777 27.826 ( 0.000 0.000 0.995) 0.995 27.833 ( -0.000 0.000 -1.234) 1.234 27.881 ( 0.000 0.000 -3.640) 3.640 27.896 ( 0.000 -0.000 0.554) 0.554 27.939 ( 0.000 0.000 -0.322) 0.322 27.955 ( 0.000 0.000 -0.429) 0.429 28.008 ( 0.000 0.000 -3.852) 3.852 28.082 ( 0.000 0.000 1.622) 1.622 28.154 ( 0.000 0.000 3.810) 3.810 28.201 ( 0.000 0.000 -3.216) 3.216 28.278 ( 0.000 0.000 -2.589) 2.589 28.315 ( 0.000 0.000 0.653) 0.653 28.379 ( 0.000 0.000 0.991) 0.991 28.390 ( 0.000 0.000 -2.143) 2.143 28.456 ( 0.000 0.000 -2.805) 2.805 29.728 ( 0.000 0.000 12.039) 12.039 30.104 ( 0.000 0.000 7.563) 7.563 30.264 ( 0.000 0.000 4.539) 4.539 30.296 ( 0.000 0.000 -12.182) 12.182 30.682 ( 0.000 0.000 -5.445) 5.445 30.799 ( 0.000 0.000 -7.162) 7.162 ======================= Grid point 51 (13/24) ======================= q-point: ( 0.17 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 7.988 14.597 27.919) 32.501 1.382 ( 16.511 20.557 10.644) 28.434 1.644 ( 0.671 0.809 2.752) 2.946 1.788 ( 1.860 5.407 -5.836) 8.170 1.895 ( -0.838 4.337 1.918) 4.816 2.019 ( 3.303 14.458 4.505) 15.499 2.131 ( 7.960 15.118 -4.945) 17.787 2.177 ( 9.289 9.866 1.294) 13.613 2.241 ( 2.730 6.147 -5.655) 8.787 2.379 ( 6.461 5.400 -4.115) 9.373 2.404 ( 5.946 7.147 -1.943) 9.498 2.556 ( 2.341 4.323 4.635) 6.756 2.607 ( -1.211 -0.711 4.604) 4.814 2.662 ( 3.445 6.155 1.762) 7.270 2.772 ( -2.259 0.174 3.401) 4.087 2.792 ( 2.943 1.230 1.532) 3.539 2.839 ( 2.780 0.776 -2.234) 3.650 2.872 ( -0.376 0.949 0.632) 1.200 2.973 ( -0.741 0.121 3.727) 3.802 3.020 ( 0.426 2.419 2.333) 3.387 3.055 ( 1.045 5.598 3.419) 6.642 3.123 ( 2.746 3.787 1.610) 4.947 3.162 ( 2.308 2.670 -5.341) 6.401 3.292 ( 0.270 -5.607 -0.402) 5.628 3.336 ( -2.654 -0.434 -1.482) 3.071 3.410 ( 0.965 -0.229 -2.047) 2.275 3.436 ( -0.601 -5.509 2.467) 6.066 3.512 ( -2.974 3.112 -1.446) 4.541 3.586 ( 0.024 5.506 2.036) 5.870 3.656 ( -3.354 1.374 2.324) 4.306 3.697 ( 3.579 -1.512 2.848) 4.818 3.729 ( 3.602 -1.226 0.366) 3.823 3.833 ( 2.087 -1.346 1.012) 2.682 3.877 ( 2.559 -1.258 -0.031) 2.852 3.896 ( -3.077 -0.135 0.159) 3.084 3.927 ( -2.489 -2.141 -5.624) 6.513 3.979 ( -0.113 -1.962 -3.955) 4.416 4.049 ( -0.001 -0.724 -3.597) 3.669 4.125 ( -0.214 0.379 -4.073) 4.096 4.152 ( 0.293 0.433 -4.912) 4.940 4.181 ( 0.957 2.607 -2.532) 3.758 4.204 ( -0.198 3.444 -3.445) 4.875 4.257 ( 0.955 0.057 -4.537) 4.637 4.292 ( 0.840 -2.433 -4.225) 4.947 4.320 ( -3.711 1.150 -2.428) 4.581 4.363 ( 0.069 0.848 -2.037) 2.207 4.379 ( 0.829 2.257 0.184) 2.412 4.442 ( 1.354 2.143 -1.490) 2.941 4.505 ( -1.259 2.350 -1.866) 3.254 4.540 ( 0.368 0.950 0.153) 1.030 4.565 ( 2.475 3.801 0.702) 4.590 4.669 ( 1.425 -3.115 0.158) 3.429 4.707 ( 0.385 -2.104 0.527) 2.203 4.752 ( -2.110 1.583 1.053) 2.840 4.795 ( 0.685 -0.554 0.898) 1.258 4.853 ( 0.139 -4.149 3.050) 5.151 4.868 ( -0.251 -4.468 2.137) 4.959 4.910 ( -1.970 -0.094 3.212) 3.770 4.952 ( -0.533 0.429 3.380) 3.448 4.994 ( -0.109 -0.964 -1.336) 1.652 5.079 ( 0.375 2.292 -0.169) 2.328 5.081 ( -0.592 2.970 0.793) 3.131 5.101 ( 0.649 0.695 -2.662) 2.827 5.165 ( 1.237 1.718 1.612) 2.661 5.236 ( -3.601 -8.403 2.319) 9.432 5.285 ( -0.512 -1.503 -3.186) 3.560 5.340 ( -1.702 -3.075 -2.202) 4.148 5.431 ( -1.924 -3.377 0.026) 3.886 5.483 ( -6.544 -4.546 -0.985) 8.029 5.557 ( 0.363 -4.753 0.887) 4.848 5.604 ( -1.691 0.090 -3.247) 3.663 5.647 ( -0.866 0.438 -1.174) 1.523 5.704 ( -5.261 -5.462 2.160) 7.885 5.791 ( -4.133 -8.045 1.728) 9.209 5.836 ( -4.354 -10.111 5.618) 12.360 5.879 ( -3.903 -7.255 6.482) 10.482 5.934 ( -2.800 -7.122 5.543) 9.449 5.958 ( -1.288 -5.447 3.989) 6.873 6.062 ( -4.027 -5.080 0.276) 6.488 6.103 ( -5.107 -4.679 -0.374) 6.936 6.133 ( -0.161 -6.643 3.914) 7.712 6.197 ( -2.477 -3.947 2.901) 5.489 6.259 ( -0.750 -0.317 0.959) 1.258 6.319 ( 3.524 2.391 6.274) 7.583 6.386 ( -0.640 -0.654 -1.871) 2.083 6.399 ( -0.082 -0.579 -0.401) 0.710 6.459 ( 2.135 -3.188 -0.529) 3.873 6.517 ( 2.344 -2.033 0.958) 3.247 6.544 ( 0.079 1.142 2.524) 2.771 6.677 ( -0.803 1.308 -2.095) 2.597 6.699 ( -3.183 3.574 0.873) 4.865 6.737 ( 3.137 -2.546 -3.016) 5.042 6.787 ( -2.210 2.098 0.090) 3.049 6.827 ( 0.998 3.010 -2.763) 4.206 6.855 ( -2.299 2.069 0.106) 3.095 6.931 ( -1.538 -0.388 0.867) 1.808 6.991 ( -2.613 -5.152 -1.442) 5.954 7.026 ( -3.679 -4.506 -0.357) 5.828 7.117 ( 0.755 -0.471 -1.622) 1.850 7.149 ( -1.874 0.516 -2.341) 3.043 7.172 ( 0.016 -5.166 1.785) 5.466 7.209 ( -1.311 -1.613 1.193) 2.397 7.246 ( -0.046 -1.028 -0.341) 1.084 7.305 ( 0.010 1.152 -2.827) 3.053 7.356 ( -0.571 -2.561 -2.073) 3.344 7.364 ( -2.439 -5.317 -0.883) 5.916 7.417 ( 0.158 -2.469 0.774) 2.593 7.522 ( -2.152 0.487 -2.967) 3.698 7.813 ( -0.090 1.896 -0.038) 1.899 7.831 ( 0.663 2.255 0.551) 2.414 7.921 ( 5.662 0.243 1.916) 5.982 7.973 ( 1.395 2.607 2.710) 4.010 8.012 ( -0.323 1.561 -0.613) 1.708 8.060 ( 3.434 1.463 -2.999) 4.789 8.119 ( -0.092 2.163 -3.917) 4.476 8.181 ( 3.775 5.517 -0.508) 6.705 8.249 ( 1.685 3.265 -1.228) 3.874 8.310 ( -6.150 5.787 -1.270) 8.539 8.371 ( 2.765 -0.221 0.254) 2.785 8.476 ( 2.928 -1.703 0.621) 3.444 8.752 ( 1.386 0.286 0.038) 1.415 8.808 ( -2.314 0.336 -2.119) 3.156 8.941 ( 3.081 2.688 0.568) 4.129 9.035 ( 0.192 -0.831 -1.134) 1.419 9.112 ( -0.549 1.207 -5.485) 5.643 9.147 ( -0.475 -3.334 -2.105) 3.971 9.292 ( -0.598 3.907 2.885) 4.894 9.451 ( 2.315 4.525 -5.179) 7.256 9.482 ( 2.580 -0.573 -6.454) 6.974 9.551 ( 0.793 3.269 -6.030) 6.905 9.630 ( -0.615 -2.715 4.033) 4.900 9.709 ( -3.411 0.827 5.780) 6.762 9.786 ( 1.747 -3.946 1.071) 4.447 9.864 ( -1.672 0.770 2.510) 3.112 9.916 ( 0.067 -1.942 1.907) 2.722 9.925 ( -1.675 -3.257 2.519) 4.446 10.001 ( -1.446 -3.261 2.420) 4.311 10.066 ( -3.639 0.380 0.892) 3.766 10.090 ( 1.155 -0.267 -3.223) 3.434 10.115 ( 0.262 0.054 -0.756) 0.802 10.184 ( 3.651 0.154 2.706) 4.547 10.312 ( 0.105 3.019 1.214) 3.256 10.506 ( 0.393 1.459 1.740) 2.305 10.661 ( -2.456 -4.519 -5.663) 7.650 11.216 ( 0.959 1.530 4.492) 4.841 11.301 ( 1.422 2.516 -1.448) 3.233 11.431 ( -1.464 -3.081 1.447) 3.705 11.520 ( 0.905 2.055 -8.593) 8.881 11.609 ( 0.040 0.317 -4.368) 4.380 11.855 ( -2.146 -3.745 -8.635) 9.654 12.769 ( -0.332 -0.213 12.158) 12.164 12.822 ( 1.031 0.772 12.000) 12.069 12.882 ( -2.645 -3.927 15.236) 15.955 13.277 ( 0.041 1.063 -9.688) 9.746 13.314 ( 0.602 -0.122 -8.084) 8.107 13.388 ( -0.924 -1.388 -7.221) 7.411 13.437 ( -1.817 -4.493 1.198) 4.993 13.548 ( -3.043 -3.385 -2.373) 5.133 13.669 ( 0.280 0.341 -0.164) 0.471 13.737 ( -0.121 -0.356 -3.308) 3.329 14.056 ( 0.486 0.779 3.624) 3.739 14.176 ( 2.216 3.928 -2.132) 4.989 14.307 ( 0.029 -1.947 9.670) 9.864 14.369 ( -3.225 -0.309 8.973) 9.540 14.483 ( 2.926 -1.357 5.275) 6.183 14.523 ( -1.818 -1.284 4.571) 5.084 14.561 ( 0.343 0.225 3.361) 3.386 14.636 ( 1.092 2.889 0.510) 3.130 14.713 ( 2.704 5.021 0.666) 5.742 14.827 ( -1.771 -0.871 3.845) 4.322 14.872 ( -1.016 -1.875 0.454) 2.180 14.960 ( 1.773 -0.336 -7.891) 8.095 15.001 ( -1.271 0.029 -4.419) 4.598 15.284 ( 1.039 0.923 4.156) 4.383 15.332 ( -1.993 0.826 3.032) 3.721 15.366 ( 0.280 -3.058 -3.810) 4.893 15.416 ( -0.633 0.375 1.984) 2.116 15.517 ( 2.819 1.501 -2.350) 3.965 15.572 ( 1.035 2.847 -0.653) 3.099 15.659 ( -2.834 -4.478 -4.424) 6.903 16.130 ( -0.461 -0.518 6.373) 6.410 16.189 ( 0.947 1.501 3.174) 3.637 16.279 ( 1.374 0.902 -0.787) 1.823 16.335 ( 0.762 1.670 -2.949) 3.474 16.390 ( 0.667 -0.022 -0.396) 0.776 16.404 ( -0.796 0.384 -0.988) 1.326 20.523 ( -0.838 -1.365 0.309) 1.631 20.566 ( 0.184 -0.276 0.386) 0.509 20.594 ( -0.159 -0.290 -1.823) 1.853 20.639 ( -0.612 -0.486 -4.698) 4.763 21.029 ( 0.666 1.069 0.705) 1.443 21.088 ( 0.286 0.566 -2.041) 2.137 25.105 ( -1.075 -2.160 3.934) 4.615 25.174 ( 0.300 0.978 3.121) 3.284 25.258 ( 0.579 1.085 -1.867) 2.235 25.307 ( 1.846 2.960 -2.210) 4.129 25.397 ( -2.366 -4.129 9.055) 10.229 25.696 ( -5.905 -10.205 -4.672) 12.682 26.947 ( -0.617 -0.080 2.251) 2.335 26.997 ( 0.098 -0.697 2.408) 2.509 27.060 ( 1.076 -0.342 -1.414) 1.810 27.142 ( -0.215 3.458 -2.855) 4.490 27.236 ( -0.755 -1.965 0.969) 2.317 27.265 ( -0.891 -1.153 1.563) 2.137 27.281 ( 0.500 -1.787 -1.145) 2.180 27.347 ( -0.050 0.336 -1.550) 1.587 27.381 ( 1.275 0.682 2.475) 2.866 27.474 ( -2.170 1.157 -0.054) 2.459 27.534 ( 2.207 0.282 -0.104) 2.227 27.557 ( -0.453 1.470 -1.901) 2.446 27.657 ( 1.270 1.301 -0.489) 1.883 27.693 ( 2.354 1.236 0.915) 2.812 27.740 ( -0.526 1.063 1.511) 1.922 27.767 ( 0.883 0.747 0.329) 1.202 27.806 ( 0.620 2.555 2.131) 3.384 27.836 ( 0.480 1.592 0.876) 1.880 27.897 ( 1.795 1.890 1.382) 2.951 27.956 ( -1.297 -0.563 -1.323) 1.937 27.985 ( 3.393 -0.909 0.900) 3.627 28.031 ( -2.386 4.154 1.280) 4.959 28.097 ( 1.068 0.435 -1.603) 1.975 28.111 ( 2.046 -0.495 1.400) 2.528 28.136 ( 0.008 4.276 -0.315) 4.287 28.172 ( 3.328 4.525 -2.127) 6.006 28.246 ( 2.310 -0.327 1.864) 2.987 28.307 ( 1.089 6.326 2.369) 6.842 28.371 ( 2.580 3.811 -2.368) 5.175 28.421 ( -0.293 -0.326 -3.420) 3.448 29.740 ( -0.865 -1.547 6.991) 7.212 30.192 ( -3.191 -5.510 7.658) 9.959 30.275 ( 0.794 1.325 -15.721) 15.797 30.429 ( -3.980 -6.928 -1.715) 8.172 30.707 ( -1.275 -2.188 -1.918) 3.177 30.886 ( -2.607 -4.577 -5.967) 7.959 ======================= Grid point 52 (14/24) ======================= q-point: ( 0.33 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 0.358 3.568 11.448) 11.997 1.601 ( 4.673 0.112 7.267) 8.640 1.823 ( -1.049 5.800 3.985) 7.115 1.889 ( 3.825 9.254 4.282) 10.891 1.957 ( 7.515 8.126 3.668) 11.660 2.076 ( 0.029 3.526 1.245) 3.740 2.189 ( -4.388 -1.400 -2.543) 5.262 2.301 ( 2.144 2.894 -4.317) 5.623 2.390 ( 0.341 -0.278 -0.545) 0.700 2.500 ( 1.206 4.543 -7.364) 8.736 2.542 ( -2.266 4.200 -1.451) 4.988 2.611 ( -0.701 -0.415 1.339) 1.568 2.680 ( 7.029 -0.124 3.332) 7.779 2.747 ( -1.096 0.191 -1.050) 1.530 2.795 ( -0.252 0.772 -1.323) 1.552 2.845 ( 1.493 1.354 0.054) 2.017 2.907 ( -0.190 3.459 -3.120) 4.662 2.951 ( 1.998 6.179 -1.750) 6.726 3.028 ( 1.121 3.477 5.926) 6.961 3.070 ( -3.647 1.647 -1.172) 4.170 3.135 ( 3.104 6.477 2.571) 7.629 3.168 ( 1.138 4.944 6.681) 8.389 3.234 ( 4.693 0.272 2.326) 5.245 3.312 ( 5.451 1.003 0.879) 5.611 3.338 ( 0.763 3.500 -2.737) 4.508 3.382 ( 2.474 3.124 2.032) 4.473 3.453 ( 1.484 0.634 -0.803) 1.803 3.544 ( 2.353 3.160 -2.227) 4.526 3.605 ( 0.871 1.560 5.617) 5.894 3.642 ( -1.809 2.909 5.392) 6.388 3.749 ( -0.719 0.285 0.400) 0.871 3.781 ( -1.850 -0.094 0.636) 1.958 3.829 ( 2.585 -0.945 1.132) 2.977 3.864 ( 4.266 -3.547 0.833) 5.610 3.932 ( -1.057 -1.262 -1.120) 1.990 3.965 ( 3.399 -1.999 -1.804) 4.336 3.992 ( 6.098 -0.809 0.465) 6.169 4.078 ( 0.701 0.715 -0.996) 1.412 4.104 ( -1.158 -0.373 -3.269) 3.488 4.147 ( 1.809 0.502 -5.378) 5.696 4.177 ( -2.308 -3.261 -1.545) 4.284 4.222 ( 1.176 -0.678 -3.867) 4.099 4.261 ( 1.722 -0.438 -2.147) 2.787 4.278 ( -1.152 0.732 -5.602) 5.766 4.321 ( -1.207 2.302 -0.651) 2.680 4.338 ( -1.242 -0.107 -7.210) 7.317 4.392 ( -2.040 -3.597 -2.283) 4.724 4.441 ( -1.752 -0.366 -1.137) 2.121 4.464 ( -5.148 -6.483 -2.799) 8.739 4.489 ( -1.954 -2.278 -0.492) 3.041 4.522 ( -1.886 -2.235 1.608) 3.338 4.576 ( -2.915 -3.650 -2.276) 5.196 4.639 ( -1.714 1.095 1.969) 2.831 4.742 ( -2.817 0.666 0.282) 2.908 4.775 ( -1.032 -0.807 -0.740) 1.505 4.804 ( -0.024 -0.837 1.895) 2.072 4.877 ( 0.102 3.646 4.147) 5.523 4.911 ( 0.993 0.429 5.511) 5.616 4.957 ( 3.711 1.383 1.788) 4.345 4.976 ( -4.345 -0.910 2.192) 4.951 5.032 ( -1.920 -2.414 1.147) 3.291 5.082 ( -0.705 -1.886 1.245) 2.367 5.099 ( -0.744 0.098 2.507) 2.617 5.157 ( -0.905 1.176 -1.467) 2.086 5.231 ( 3.235 0.101 -3.869) 5.045 5.261 ( -0.295 -1.648 -1.559) 2.288 5.292 ( -0.441 -1.800 -1.302) 2.264 5.330 ( 0.757 -5.224 -1.170) 5.407 5.410 ( -3.613 -3.715 1.099) 5.297 5.448 ( -1.583 -5.481 1.056) 5.801 5.508 ( -3.751 0.978 0.057) 3.877 5.577 ( -0.255 -3.047 -0.952) 3.202 5.618 ( -1.016 -3.685 0.837) 3.913 5.683 ( -1.992 -7.462 1.565) 7.880 5.751 ( 1.100 1.113 3.024) 3.405 5.828 ( 0.494 -0.758 -0.721) 1.157 5.887 ( -0.009 0.283 3.274) 3.286 5.954 ( -1.548 -3.692 0.919) 4.108 5.963 ( 3.284 -2.711 6.229) 7.546 6.012 ( 0.718 -4.757 -1.848) 5.153 6.096 ( -1.871 -1.852 0.207) 2.640 6.130 ( 0.034 -3.388 1.504) 3.707 6.242 ( -1.423 2.135 -0.628) 2.641 6.329 ( -2.180 -1.959 -5.985) 6.664 6.379 ( -0.124 -0.672 -0.156) 0.701 6.411 ( 2.550 -2.494 1.421) 3.839 6.488 ( -1.894 3.907 1.716) 4.669 6.548 ( 2.891 3.469 3.569) 5.756 6.581 ( 1.551 0.141 1.848) 2.417 6.646 ( -3.150 1.895 1.489) 3.966 6.662 ( -2.269 1.839 -0.877) 3.049 6.737 ( -6.304 7.137 -1.818) 9.694 6.773 ( -1.478 -1.109 2.340) 2.982 6.801 ( 0.560 3.269 -0.359) 3.336 6.862 ( -2.418 0.546 -0.758) 2.592 6.900 ( 0.899 -0.852 -1.136) 1.680 6.932 ( 2.324 -1.953 0.364) 3.057 6.986 ( 2.266 -4.576 -0.910) 5.187 7.076 ( -1.196 -0.154 0.004) 1.205 7.098 ( -0.858 -2.952 0.646) 3.141 7.147 ( 0.095 -2.283 -0.208) 2.294 7.192 ( -0.346 -0.011 -0.659) 0.744 7.212 ( -2.941 -3.085 -1.360) 4.474 7.261 ( -0.667 -3.950 -2.087) 4.516 7.306 ( 0.234 1.451 1.013) 1.785 7.364 ( -1.285 3.952 -4.243) 5.940 7.416 ( -5.559 -0.496 -0.989) 5.668 7.466 ( 3.572 -2.043 -1.230) 4.295 7.870 ( 1.505 3.673 -0.338) 3.984 7.886 ( 0.766 2.615 -0.108) 2.727 7.962 ( -2.548 3.238 2.294) 4.716 8.017 ( 2.390 -0.316 2.634) 3.571 8.050 ( 0.708 -0.904 1.094) 1.586 8.095 ( -1.979 3.092 -3.628) 5.161 8.165 ( 4.749 2.092 -5.245) 7.379 8.248 ( -0.913 -0.923 4.196) 4.393 8.293 ( 0.840 1.742 2.427) 3.103 8.315 ( 0.538 2.863 -5.070) 5.848 8.410 ( 2.231 -0.663 0.580) 2.399 8.500 ( 4.094 -5.736 -4.455) 8.337 8.779 ( -0.598 0.301 -1.336) 1.494 8.796 ( 1.473 -0.465 -1.563) 2.197 8.979 ( -0.631 -2.432 2.957) 3.880 9.006 ( -0.113 2.178 -0.956) 2.381 9.070 ( -2.377 -1.478 -4.687) 5.459 9.113 ( -2.389 1.124 -2.805) 3.852 9.324 ( 1.000 2.671 2.110) 3.548 9.461 ( -0.128 -2.134 -4.284) 4.788 9.551 ( -0.249 -0.242 0.615) 0.706 9.563 ( 1.756 0.973 -2.090) 2.898 9.649 ( 1.587 1.999 3.458) 4.298 9.684 ( 0.497 1.669 4.280) 4.620 9.753 ( -3.274 -4.797 6.871) 8.997 9.806 ( 0.628 -1.672 1.754) 2.504 9.893 ( -0.404 1.004 2.343) 2.581 9.951 ( 2.215 -1.041 -1.577) 2.912 9.962 ( 1.375 -1.195 0.510) 1.892 9.993 ( -3.787 -1.423 -0.446) 4.070 10.013 ( -1.872 -4.774 -1.913) 5.474 10.143 ( 1.857 -0.793 -2.572) 3.270 10.264 ( -0.374 2.808 0.786) 2.940 10.345 ( -0.647 5.409 -0.515) 5.472 10.522 ( 0.879 -0.398 1.253) 1.581 10.597 ( -0.803 -2.100 -1.949) 2.975 11.254 ( 0.966 1.924 5.839) 6.223 11.339 ( 0.375 0.703 0.425) 0.903 11.360 ( -1.376 -2.947 4.885) 5.869 11.546 ( 0.723 -0.089 -7.924) 7.958 11.652 ( 1.516 3.200 -10.098) 10.701 11.780 ( -2.126 -2.600 -11.122) 11.618 12.769 ( 0.491 0.143 12.669) 12.680 12.810 ( -1.319 -1.859 13.847) 14.033 12.855 ( 0.206 1.232 12.732) 12.793 13.275 ( -0.650 0.335 -6.565) 6.606 13.319 ( 0.653 -1.193 -7.842) 7.959 13.370 ( -0.449 0.492 -8.308) 8.334 13.384 ( -1.917 0.492 -1.439) 2.447 13.485 ( 0.116 -3.066 -2.679) 4.073 13.672 ( 0.460 -0.605 -0.438) 0.877 13.722 ( 0.490 -2.251 -2.324) 3.272 14.073 ( 0.058 1.121 4.887) 5.015 14.230 ( 0.406 1.389 -0.786) 1.647 14.296 ( -1.999 1.532 7.024) 7.462 14.342 ( 2.428 -0.682 7.984) 8.372 14.424 ( -1.722 -3.855 9.659) 10.542 14.543 ( -2.696 2.415 4.037) 5.422 14.584 ( 2.404 1.382 4.396) 5.197 14.690 ( 0.993 2.396 1.342) 2.920 14.749 ( -0.064 -2.955 3.712) 4.745 14.817 ( 2.080 2.407 -0.356) 3.201 14.876 ( -0.528 0.410 -2.070) 2.176 14.976 ( -0.630 0.941 -9.323) 9.392 15.002 ( 0.818 0.521 -7.322) 7.386 15.281 ( -1.501 -1.318 -3.228) 3.796 15.318 ( -1.520 1.147 0.112) 1.907 15.348 ( 1.459 1.156 0.656) 1.973 15.421 ( -0.099 -0.672 4.985) 5.031 15.563 ( 0.691 -0.843 -3.817) 3.969 15.587 ( -1.133 -0.410 -2.969) 3.204 15.615 ( 1.676 0.020 -3.191) 3.604 16.124 ( 0.416 -0.647 7.486) 7.526 16.222 ( 0.067 1.889 3.113) 3.642 16.291 ( 0.251 -0.694 0.464) 0.872 16.343 ( -0.696 0.947 -2.735) 2.977 16.396 ( 0.034 -0.328 -1.575) 1.609 16.413 ( 0.897 0.392 -1.582) 1.861 20.501 ( -0.286 -0.624 0.387) 0.788 20.563 ( -0.702 0.729 0.293) 1.054 20.595 ( 0.500 -0.362 -3.225) 3.284 20.620 ( 0.004 -1.400 -2.712) 3.052 21.047 ( -0.380 1.602 0.273) 1.669 21.099 ( 0.680 -0.387 -1.912) 2.066 25.072 ( 0.084 -2.048 5.285) 5.669 25.188 ( -1.053 2.785 3.896) 4.904 25.279 ( 1.404 -0.566 1.747) 2.312 25.328 ( -0.650 -1.178 -0.057) 1.347 25.391 ( 1.870 2.417 -3.290) 4.491 25.527 ( -3.838 -4.687 -3.897) 7.203 26.937 ( 0.262 -0.477 4.635) 4.667 27.004 ( 0.330 0.001 0.865) 0.926 27.053 ( 0.233 -2.241 -0.281) 2.270 27.163 ( -1.067 2.946 -1.490) 3.470 27.211 ( -0.533 -0.254 -0.300) 0.662 27.228 ( 0.049 -1.210 -0.114) 1.216 27.305 ( 0.872 0.718 -1.122) 1.592 27.329 ( -1.713 -0.008 -1.271) 2.133 27.406 ( 0.292 -0.453 3.759) 3.797 27.470 ( -0.117 3.090 -1.961) 3.662 27.530 ( 0.412 -1.765 -0.373) 1.850 27.594 ( 1.507 0.494 -0.106) 1.589 27.653 ( -0.199 -1.831 4.552) 4.911 27.719 ( -0.686 0.362 2.554) 2.669 27.779 ( 2.292 1.577 -0.260) 2.794 27.795 ( -0.175 1.035 -1.600) 1.914 27.845 ( 1.842 0.767 -0.047) 1.996 27.865 ( 1.516 -0.027 -0.499) 1.596 27.899 ( -1.568 -0.589 -0.622) 1.786 27.953 ( 0.622 1.683 -0.600) 1.892 27.999 ( -2.087 1.724 0.458) 2.746 28.038 ( 0.865 0.129 1.209) 1.492 28.052 ( -2.525 -0.442 -1.594) 3.018 28.137 ( 0.814 1.341 -0.128) 1.575 28.228 ( 0.947 0.983 -0.172) 1.376 28.258 ( 2.535 -0.699 -0.827) 2.756 28.291 ( 3.155 0.966 -0.568) 3.348 28.356 ( -0.866 2.306 -2.593) 3.577 28.410 ( 0.816 2.068 -0.218) 2.234 28.466 ( 1.026 2.434 -1.945) 3.281 29.724 ( -0.003 -0.554 11.532) 11.545 30.117 ( -1.081 -0.331 7.924) 8.004 30.251 ( -1.203 -3.459 0.437) 3.688 30.301 ( -2.259 -3.558 -8.457) 9.449 30.687 ( -0.045 0.600 -5.566) 5.599 30.795 ( -1.805 -3.684 -6.890) 8.019 ======================= Grid point 53 (15/24) ======================= q-point: (-0.50 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( -3.383 1.540 10.413) 11.057 1.604 ( -5.577 -2.888 9.366) 11.277 1.805 ( -10.466 0.101 5.992) 12.061 1.830 ( -4.441 4.286 3.552) 7.121 2.040 ( -5.304 -3.014 -1.101) 6.199 2.124 ( -3.201 1.923 2.738) 4.630 2.221 ( 5.357 2.663 -1.828) 6.256 2.297 ( -0.627 -1.969 -2.693) 3.395 2.339 ( -4.606 1.265 -3.019) 5.650 2.476 ( -4.972 -0.484 -7.286) 8.835 2.563 ( -2.614 4.430 -0.148) 5.146 2.601 ( -2.934 1.629 1.903) 3.858 2.653 ( -3.588 -3.334 1.650) 5.168 2.727 ( 0.564 -0.454 -1.533) 1.696 2.816 ( -2.618 2.559 -0.714) 3.730 2.856 ( -1.427 0.484 -0.509) 1.591 2.891 ( -0.393 -1.330 0.098) 1.390 2.963 ( -4.384 0.749 -2.968) 5.347 3.008 ( -0.389 1.460 3.139) 3.484 3.080 ( -5.362 4.926 3.722) 8.178 3.155 ( -4.441 0.385 4.166) 6.102 3.174 ( -5.503 -2.307 3.423) 6.878 3.250 ( -0.665 -1.004 0.411) 1.273 3.311 ( 0.193 -1.513 2.787) 3.177 3.356 ( -10.214 -3.101 -0.365) 10.680 3.406 ( -5.485 -2.205 -0.271) 5.918 3.441 ( -2.437 -3.297 -0.401) 4.120 3.527 ( 0.037 0.348 -0.908) 0.973 3.607 ( -1.148 4.924 2.677) 5.721 3.649 ( 0.876 4.519 1.346) 4.796 3.739 ( -5.261 -1.595 3.658) 6.604 3.766 ( 1.967 -0.315 1.816) 2.696 3.810 ( -5.387 -1.641 0.735) 5.679 3.843 ( 3.315 -0.829 -0.663) 3.481 3.887 ( 0.870 -4.799 -0.610) 4.915 3.962 ( 0.574 -0.858 -0.399) 1.107 3.985 ( -0.351 -3.983 -0.198) 4.004 4.079 ( -4.758 -0.295 -3.036) 5.652 4.110 ( 4.314 -0.544 -0.521) 4.379 4.157 ( -0.997 -0.351 -5.400) 5.502 4.199 ( 0.843 -1.949 -3.428) 4.033 4.207 ( 5.214 0.773 -2.707) 5.926 4.243 ( 0.366 -1.024 -2.855) 3.055 4.290 ( -1.032 -0.619 -6.388) 6.500 4.333 ( 0.192 0.298 -4.156) 4.171 4.357 ( 0.912 2.034 -3.382) 4.050 4.420 ( 4.369 -0.494 -0.446) 4.420 4.437 ( 3.550 1.495 -0.949) 3.967 4.475 ( 0.981 1.101 -0.022) 1.475 4.495 ( 4.652 -1.866 -0.776) 5.072 4.560 ( 5.409 1.995 -2.148) 6.152 4.590 ( 1.836 -2.677 -1.713) 3.670 4.626 ( 3.084 5.125 1.915) 6.280 4.729 ( 2.037 1.328 1.763) 3.003 4.765 ( -1.074 3.529 0.697) 3.754 4.821 ( -2.386 -3.147 3.240) 5.109 4.837 ( -0.846 2.343 4.160) 4.849 4.889 ( -0.978 0.406 2.354) 2.581 4.960 ( -1.126 -2.013 1.418) 2.707 4.967 ( 2.294 2.212 0.866) 3.302 5.041 ( 0.035 2.027 -1.647) 2.612 5.082 ( 4.321 1.117 3.034) 5.397 5.116 ( -1.452 -0.113 -1.862) 2.364 5.180 ( -0.678 -3.179 0.251) 3.260 5.221 ( -0.080 0.023 -0.038) 0.091 5.265 ( 0.119 -0.184 -1.208) 1.228 5.289 ( 4.459 -1.191 -0.510) 4.644 5.334 ( 3.020 -1.986 -0.655) 3.673 5.380 ( 5.558 0.232 1.690) 5.814 5.474 ( 4.683 -0.397 1.868) 5.058 5.544 ( 3.745 0.856 -1.703) 4.203 5.574 ( 3.874 0.904 1.267) 4.175 5.608 ( 3.030 -0.440 -0.943) 3.204 5.659 ( 4.361 -1.944 -0.114) 4.776 5.793 ( 1.181 -4.107 1.744) 4.616 5.821 ( 2.250 -0.424 2.768) 3.592 5.873 ( -2.697 0.929 2.367) 3.707 5.943 ( 4.338 -0.082 -0.247) 4.346 5.971 ( -3.119 -3.682 0.413) 4.843 5.995 ( 4.475 -2.748 4.137) 6.685 6.042 ( 1.725 1.780 2.520) 3.535 6.147 ( 2.632 -0.908 -0.783) 2.892 6.242 ( -0.627 2.717 -1.494) 3.163 6.303 ( -0.010 -0.212 -3.368) 3.374 6.384 ( 0.559 0.998 -1.820) 2.150 6.410 ( 1.356 -2.763 -0.907) 3.209 6.456 ( -4.266 5.253 4.207) 7.969 6.539 ( -5.916 -2.073 3.428) 7.145 6.582 ( -1.828 0.430 3.094) 3.619 6.653 ( 0.588 3.659 -1.412) 3.966 6.693 ( 3.173 0.135 2.663) 4.145 6.715 ( -1.305 2.856 -2.125) 3.791 6.799 ( 1.474 6.169 0.214) 6.346 6.831 ( -2.273 2.911 0.084) 3.694 6.885 ( 1.928 0.477 -1.212) 2.327 6.929 ( 4.084 -1.955 -1.378) 4.733 6.974 ( -0.743 -5.545 -0.690) 5.637 6.983 ( 3.687 -6.707 -0.852) 7.701 7.061 ( 1.623 2.133 1.993) 3.340 7.073 ( 1.886 -1.068 3.898) 4.460 7.143 ( 0.806 5.024 -0.196) 5.092 7.173 ( 0.223 -0.357 -2.122) 2.163 7.198 ( 2.126 1.352 -2.999) 3.917 7.263 ( 1.097 -2.455 -1.029) 2.879 7.296 ( -0.158 0.691 -0.796) 1.066 7.357 ( 0.661 3.099 -1.653) 3.574 7.397 ( -1.343 1.310 -1.647) 2.497 7.504 ( 2.770 -1.657 -3.587) 4.825 7.872 ( -3.094 0.057 0.615) 3.156 7.904 ( -3.281 1.570 0.724) 3.709 7.927 ( -2.588 2.068 1.854) 3.796 8.022 ( -2.277 1.021 1.403) 2.863 8.038 ( 0.546 -2.240 0.788) 2.437 8.090 ( -2.181 1.733 -2.848) 3.984 8.176 ( -2.675 -3.537 -0.273) 4.443 8.246 ( 0.210 2.615 -4.871) 5.533 8.282 ( -2.292 -0.467 3.841) 4.497 8.352 ( 0.191 2.992 -0.854) 3.118 8.422 ( 0.631 -4.372 -1.687) 4.729 8.476 ( 0.761 -6.795 -2.869) 7.415 8.766 ( -0.823 0.036 -0.237) 0.857 8.808 ( 0.956 -0.937 -3.018) 3.302 8.970 ( -0.133 0.076 1.555) 1.563 9.016 ( -0.352 0.659 -0.069) 0.750 9.060 ( 2.829 1.288 -4.380) 5.371 9.104 ( -0.563 2.828 -1.682) 3.338 9.353 ( -1.070 0.067 0.673) 1.266 9.452 ( 1.674 -0.742 -4.358) 4.727 9.550 ( -1.914 -0.410 -0.244) 1.973 9.563 ( 0.037 -0.725 -0.306) 0.788 9.637 ( -2.841 -0.039 2.565) 3.827 9.720 ( 1.174 -1.342 5.555) 5.834 9.744 ( 1.153 2.608 3.915) 4.843 9.787 ( 3.851 -2.114 4.484) 6.278 9.892 ( -1.479 1.016 2.791) 3.318 9.930 ( -0.606 -1.444 -1.206) 1.977 9.957 ( 0.887 0.175 -0.992) 1.343 10.004 ( 4.417 -0.519 -2.187) 4.956 10.047 ( 5.673 -1.571 -0.448) 5.904 10.141 ( -0.236 -2.593 -3.377) 4.264 10.218 ( -6.381 4.515 2.976) 8.364 10.375 ( -2.503 2.115 -1.721) 3.702 10.527 ( 0.428 -1.234 1.109) 1.714 10.592 ( 1.975 -0.176 -1.518) 2.497 11.253 ( -2.195 0.152 5.743) 6.150 11.340 ( -0.851 0.003 0.376) 0.930 11.359 ( 3.194 -0.249 5.015) 5.951 11.546 ( -0.291 -0.620 -7.870) 7.899 11.655 ( -3.355 0.162 -10.010) 10.558 11.779 ( 3.328 0.569 -11.269) 11.764 12.774 ( -0.308 -0.717 12.974) 12.997 12.800 ( 1.515 0.760 13.082) 13.191 12.860 ( -0.473 0.251 13.216) 13.227 13.281 ( 0.522 0.884 -6.149) 6.234 13.311 ( 0.046 -1.210 -8.633) 8.717 13.369 ( -0.143 1.051 -5.250) 5.356 13.382 ( 0.317 1.318 -4.037) 4.258 13.492 ( 3.077 -1.605 -2.977) 4.573 13.672 ( 0.331 -0.728 -0.375) 0.883 13.721 ( 1.650 -1.535 -2.212) 3.158 14.073 ( -1.019 0.515 4.871) 5.003 14.228 ( -1.297 0.365 -0.028) 1.347 14.290 ( -1.111 1.959 6.213) 6.609 14.372 ( 0.726 -3.631 8.693) 9.449 14.410 ( 4.333 0.846 7.349) 8.573 14.514 ( -3.038 3.297 7.044) 8.350 14.597 ( -1.397 -0.647 2.296) 2.764 14.692 ( -2.802 0.503 2.087) 3.529 14.763 ( 4.763 -2.128 3.889) 6.507 14.821 ( -3.963 -0.663 -0.679) 4.076 14.871 ( -0.137 0.965 -1.313) 1.635 14.966 ( -1.424 1.047 -9.893) 10.050 15.010 ( -0.213 -0.369 -7.296) 7.308 15.288 ( 2.798 1.067 -4.760) 5.624 15.304 ( -1.308 0.810 1.047) 1.861 15.378 ( -1.485 -0.967 3.152) 3.616 15.397 ( 0.721 0.755 2.477) 2.688 15.554 ( -1.622 -0.371 -3.307) 3.702 15.580 ( 1.703 -0.237 -3.540) 3.935 15.628 ( -0.057 -1.044 -2.583) 2.787 16.125 ( 0.499 -0.780 7.346) 7.404 16.216 ( -1.890 1.065 3.412) 4.043 16.295 ( 0.202 -0.594 0.368) 0.727 16.340 ( -0.486 1.086 -2.699) 2.950 16.391 ( -0.235 -0.183 -1.238) 1.273 16.420 ( -0.103 -0.589 -1.975) 2.064 20.501 ( 0.689 -0.063 0.388) 0.793 20.561 ( -0.440 0.943 0.390) 1.112 20.594 ( 0.046 -0.512 -3.182) 3.223 20.624 ( 1.407 -0.787 -2.908) 3.325 21.047 ( -1.239 1.129 0.360) 1.714 21.100 ( 0.029 -0.777 -1.957) 2.106 25.071 ( 1.614 -1.033 5.347) 5.681 25.189 ( -1.714 2.235 3.591) 4.564 25.281 ( -0.141 -1.636 2.570) 3.050 25.325 ( 1.231 0.086 -0.773) 1.456 25.390 ( -3.021 -0.341 -3.134) 4.367 25.527 ( 5.959 0.941 -3.915) 7.192 26.944 ( 0.863 -0.769 4.646) 4.788 26.996 ( -0.778 0.073 1.321) 1.534 27.047 ( 1.022 -0.892 -0.468) 1.435 27.183 ( 1.225 1.302 -0.247) 1.804 27.206 ( -0.856 0.526 -3.205) 3.359 27.230 ( -0.283 0.090 -0.832) 0.883 27.274 ( -0.583 -0.007 1.028) 1.182 27.355 ( 0.548 1.074 -0.147) 1.215 27.386 ( -0.844 -0.288 1.661) 1.885 27.499 ( -0.340 0.281 0.173) 0.474 27.524 ( 0.185 0.388 -1.609) 1.665 27.588 ( -0.290 -2.038 -1.235) 2.400 27.649 ( 0.664 -0.554 4.911) 4.986 27.721 ( 0.082 0.829 2.803) 2.924 27.768 ( -2.148 -0.631 -0.255) 2.253 27.810 ( -1.833 -0.773 -1.120) 2.283 27.832 ( -0.996 0.182 -0.927) 1.373 27.862 ( 0.130 -0.984 -0.497) 1.110 27.901 ( 0.166 0.541 0.969) 1.122 27.958 ( -0.766 0.277 1.385) 1.606 27.992 ( -2.699 1.153 -1.010) 3.104 28.040 ( 2.442 2.166 -1.062) 3.433 28.073 ( 1.251 0.142 0.066) 1.261 28.151 ( -0.867 0.073 -0.515) 1.011 28.187 ( -2.469 -0.712 -1.234) 2.850 28.262 ( -3.578 -0.875 -0.469) 3.713 28.282 ( -1.213 -2.376 -0.794) 2.783 28.379 ( 0.802 0.654 -2.538) 2.741 28.411 ( -3.200 0.434 0.293) 3.242 28.464 ( -2.624 0.319 -1.710) 3.148 29.723 ( 0.443 -0.252 11.461) 11.472 30.117 ( 0.847 0.755 7.896) 7.977 30.252 ( 3.573 -0.707 0.561) 3.685 30.300 ( 4.190 0.218 -8.547) 9.521 30.688 ( -0.491 0.330 -5.592) 5.623 30.795 ( 4.069 -0.263 -6.847) 7.969 ======================= Grid point 58 (16/24) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( -0.000 -0.000 5.617) 5.617 1.617 ( -0.000 -0.000 6.952) 6.952 1.899 ( -0.000 -0.000 10.129) 10.129 1.991 ( -0.000 -0.000 2.910) 2.910 2.044 ( -0.000 -0.000 4.015) 4.015 2.157 ( -0.000 -0.000 -3.131) 3.131 2.184 ( -0.000 -0.000 -4.388) 4.388 2.286 ( -0.000 -0.000 5.100) 5.100 2.397 ( -0.000 -0.000 -3.308) 3.308 2.556 ( 0.000 -0.000 -4.578) 4.578 2.569 ( -0.000 0.000 -5.200) 5.200 2.588 ( -0.000 -0.000 -1.829) 1.829 2.680 ( -0.000 -0.000 -2.802) 2.802 2.760 ( -0.000 -0.000 -0.648) 0.648 2.798 ( -0.000 -0.000 1.656) 1.656 2.876 ( -0.000 -0.000 0.404) 0.404 2.945 ( -0.000 -0.000 -1.924) 1.924 2.978 ( -0.000 -0.000 -6.754) 6.754 3.086 ( 0.000 -0.000 4.023) 4.023 3.102 ( -0.000 -0.000 5.749) 5.749 3.180 ( 0.000 0.000 7.525) 7.525 3.262 ( -0.000 -0.000 3.474) 3.474 3.299 ( 0.000 -0.000 4.748) 4.748 3.376 ( -0.000 0.000 -1.195) 1.195 3.376 ( -0.000 -0.000 -2.124) 2.124 3.392 ( 0.000 0.000 -0.773) 0.773 3.523 ( -0.000 -0.000 2.859) 2.859 3.526 ( 0.000 0.000 2.350) 2.350 3.673 ( -0.000 -0.000 7.694) 7.694 3.673 ( 0.000 0.000 1.996) 1.996 3.718 ( 0.000 0.000 0.379) 0.379 3.788 ( -0.000 -0.000 -4.087) 4.087 3.796 ( -0.000 0.000 5.184) 5.184 3.821 ( 0.000 0.000 -2.098) 2.098 3.866 ( -0.000 -0.000 1.551) 1.551 3.889 ( 0.000 -0.000 1.150) 1.150 4.031 ( -0.000 -0.000 -0.359) 0.359 4.052 ( 0.000 -0.000 0.295) 0.295 4.065 ( -0.000 0.000 -1.729) 1.729 4.147 ( 0.000 -0.000 -7.271) 7.271 4.191 ( -0.000 0.000 -3.310) 3.310 4.213 ( -0.000 -0.000 -4.758) 4.758 4.214 ( 0.000 0.000 -2.039) 2.039 4.294 ( -0.000 0.000 -9.317) 9.317 4.306 ( -0.000 -0.000 -6.518) 6.518 4.329 ( 0.000 -0.000 -4.561) 4.561 4.378 ( 0.000 -0.000 -0.538) 0.538 4.442 ( -0.000 -0.000 0.740) 0.740 4.458 ( -0.000 -0.000 -0.067) 0.067 4.497 ( 0.000 0.000 -1.153) 1.153 4.507 ( -0.000 -0.000 -0.333) 0.333 4.524 ( -0.000 -0.000 1.506) 1.506 4.640 ( -0.000 -0.000 0.450) 0.450 4.712 ( -0.000 -0.000 -1.079) 1.079 4.791 ( -0.000 -0.000 1.010) 1.010 4.841 ( -0.000 -0.000 1.233) 1.233 4.860 ( -0.000 -0.000 6.913) 6.913 4.906 ( -0.000 -0.000 4.063) 4.063 4.947 ( -0.000 -0.000 4.574) 4.574 5.030 ( 0.000 0.000 2.308) 2.308 5.043 ( -0.000 -0.000 -0.233) 0.233 5.076 ( -0.000 -0.000 -0.031) 0.031 5.081 ( 0.000 0.000 -2.869) 2.869 5.087 ( -0.000 0.000 -1.838) 1.838 5.173 ( -0.000 -0.000 3.100) 3.100 5.244 ( -0.000 -0.000 -1.278) 1.278 5.290 ( -0.000 -0.000 -2.663) 2.663 5.307 ( -0.000 -0.000 -3.396) 3.396 5.345 ( 0.000 -0.000 2.820) 2.820 5.393 ( -0.000 -0.000 0.609) 0.609 5.526 ( -0.000 -0.000 0.161) 0.161 5.559 ( -0.000 0.000 1.698) 1.698 5.569 ( -0.000 -0.000 0.104) 0.104 5.578 ( 0.000 -0.000 -1.347) 1.347 5.756 ( -0.000 -0.000 1.909) 1.909 5.805 ( -0.000 -0.000 3.296) 3.296 5.897 ( -0.000 0.000 -2.401) 2.401 5.897 ( 0.000 -0.000 -2.207) 2.207 5.964 ( -0.000 -0.000 11.966) 11.966 5.987 ( 0.000 -0.000 1.763) 1.763 6.019 ( -0.000 -0.000 1.890) 1.890 6.188 ( 0.000 0.000 -7.431) 7.431 6.194 ( -0.000 -0.000 -6.957) 6.957 6.305 ( -0.000 -0.000 -4.165) 4.165 6.371 ( -0.000 0.000 -0.526) 0.526 6.375 ( 0.000 -0.000 -0.913) 0.913 6.558 ( -0.000 -0.000 1.855) 1.855 6.599 ( 0.000 0.000 7.045) 7.045 6.607 ( -0.000 -0.000 6.773) 6.773 6.645 ( -0.000 -0.000 -1.568) 1.568 6.718 ( 0.000 0.000 1.761) 1.761 6.746 ( -0.000 -0.000 2.965) 2.965 6.833 ( -0.000 -0.000 2.111) 2.111 6.845 ( -0.000 -0.000 -1.969) 1.969 6.884 ( -0.000 -0.000 -0.798) 0.798 6.892 ( -0.000 -0.000 -0.534) 0.534 6.910 ( -0.000 0.000 -1.312) 1.312 6.914 ( 0.000 -0.000 -0.978) 0.978 7.068 ( -0.000 -0.000 -1.766) 1.766 7.098 ( -0.000 -0.000 3.213) 3.213 7.110 ( -0.000 0.000 -1.991) 1.991 7.137 ( -0.000 -0.000 -1.120) 1.120 7.199 ( -0.000 -0.000 -0.179) 0.179 7.205 ( -0.000 -0.000 -1.066) 1.066 7.339 ( 0.000 -0.000 -3.718) 3.718 7.410 ( 0.000 0.000 0.573) 0.573 7.413 ( -0.000 -0.000 0.564) 0.564 7.418 ( -0.000 0.000 -5.845) 5.845 7.918 ( -0.000 -0.000 3.048) 3.048 7.957 ( -0.000 -0.000 2.419) 2.419 7.981 ( -0.000 -0.000 2.883) 2.883 8.027 ( -0.000 -0.000 0.842) 0.842 8.034 ( -0.000 -0.000 0.999) 0.999 8.106 ( -0.000 -0.000 -6.018) 6.018 8.230 ( -0.000 -0.000 -5.163) 5.163 8.243 ( 0.000 0.000 -4.678) 4.678 8.259 ( -0.000 -0.000 3.300) 3.300 8.383 ( 0.000 0.000 -0.207) 0.207 8.385 ( -0.000 -0.000 -0.046) 0.046 8.406 ( 0.000 -0.000 -3.783) 3.783 8.781 ( -0.000 -0.000 -1.795) 1.795 8.798 ( -0.000 -0.000 -1.802) 1.802 8.944 ( -0.000 -0.000 4.854) 4.854 9.042 ( 0.000 -0.000 -3.075) 3.075 9.048 ( -0.000 0.000 -3.019) 3.019 9.123 ( -0.000 -0.000 -3.039) 3.039 9.391 ( 0.000 -0.000 -0.656) 0.656 9.392 ( -0.000 0.000 -0.555) 0.555 9.546 ( -0.000 -0.000 1.436) 1.436 9.591 ( -0.000 -0.000 -2.599) 2.599 9.667 ( -0.000 -0.000 7.866) 7.866 9.680 ( -0.000 0.000 8.888) 8.888 9.705 ( -0.000 -0.000 3.883) 3.883 9.806 ( -0.000 -0.000 -0.164) 0.164 9.926 ( 0.000 -0.000 -5.485) 5.485 9.930 ( -0.000 -0.000 4.965) 4.965 9.943 ( -0.000 -0.000 -1.147) 1.147 9.949 ( -0.000 -0.000 -0.033) 0.033 9.965 ( -0.000 -0.000 -3.627) 3.627 10.128 ( -0.000 -0.000 -4.095) 4.095 10.353 ( 0.000 0.000 1.543) 1.543 10.359 ( -0.000 -0.000 1.387) 1.387 10.540 ( 0.000 -0.000 -0.210) 0.210 10.553 ( -0.000 -0.000 -0.273) 0.273 11.295 ( -0.000 -0.000 6.065) 6.065 11.304 ( -0.000 0.000 6.601) 6.601 11.351 ( -0.000 -0.000 -0.312) 0.312 11.544 ( -0.000 -0.000 -7.605) 7.605 11.713 ( -0.000 0.000 -11.849) 11.849 11.729 ( 0.000 -0.000 -11.486) 11.486 12.774 ( -0.000 -0.000 13.094) 13.094 12.787 ( -0.000 -0.000 13.290) 13.290 12.869 ( -0.000 -0.000 13.125) 13.125 13.283 ( -0.000 -0.000 -6.955) 6.955 13.301 ( -0.000 -0.000 -7.255) 7.255 13.378 ( -0.000 -0.000 -11.670) 11.670 13.415 ( -0.000 -0.000 0.393) 0.393 13.425 ( -0.000 -0.000 -0.273) 0.273 13.677 ( -0.000 -0.000 -1.948) 1.948 13.680 ( 0.000 0.000 -1.949) 1.949 14.087 ( -0.000 -0.000 5.562) 5.562 14.241 ( -0.000 -0.000 2.893) 2.893 14.330 ( -0.000 -0.000 6.642) 6.642 14.339 ( 0.000 0.000 6.317) 6.317 14.364 ( -0.000 -0.000 6.228) 6.228 14.575 ( -0.000 -0.000 3.237) 3.237 14.637 ( -0.000 -0.000 2.942) 2.942 14.666 ( -0.000 0.000 4.944) 4.944 14.723 ( -0.000 -0.000 2.454) 2.454 14.859 ( -0.000 -0.000 -1.260) 1.260 14.875 ( 0.000 -0.000 0.389) 0.389 14.987 ( -0.000 -0.000 -8.721) 8.721 15.013 ( -0.000 -0.000 -8.872) 8.872 15.237 ( -0.000 -0.000 -12.057) 12.057 15.377 ( -0.494 -0.988 3.007) 3.203 15.377 ( 0.494 0.988 6.284) 6.381 15.380 ( 0.000 0.000 6.415) 6.415 15.541 ( 0.000 -0.000 -6.034) 6.034 15.602 ( -0.000 -0.000 -3.417) 3.417 15.603 ( 0.000 0.000 -3.401) 3.401 16.117 ( -0.000 -0.000 7.963) 7.963 16.256 ( -0.000 -0.000 2.011) 2.011 16.273 ( -0.000 -0.000 2.376) 2.376 16.346 ( -0.000 -0.000 -3.342) 3.342 16.402 ( -0.000 -0.000 -1.970) 1.970 16.413 ( 0.000 -0.000 -1.597) 1.597 20.494 ( -0.000 -0.000 0.467) 0.467 20.586 ( -0.000 0.000 -0.768) 0.768 20.588 ( 0.000 -0.000 -0.770) 0.770 20.591 ( -0.000 0.000 -3.777) 3.777 21.078 ( -0.000 0.000 -0.979) 0.979 21.082 ( -0.000 -0.000 -0.982) 0.982 25.050 ( -0.000 -0.000 5.873) 5.873 25.238 ( -0.000 -0.000 4.400) 4.400 25.255 ( -0.000 0.000 5.218) 5.218 25.312 ( -0.000 -0.000 -5.246) 5.246 25.437 ( -0.000 -0.000 -4.019) 4.019 25.460 ( 0.000 0.000 -3.206) 3.206 26.931 ( -0.000 -0.000 5.859) 5.859 27.006 ( -0.000 -0.000 0.024) 0.024 27.027 ( -0.000 -0.000 -0.056) 0.056 27.182 ( -0.000 -0.000 0.199) 0.199 27.197 ( -0.000 -0.000 -0.033) 0.033 27.252 ( -0.000 -0.000 -8.274) 8.274 27.316 ( 0.000 -0.000 1.891) 1.891 27.327 ( -0.000 0.000 2.502) 2.502 27.386 ( -0.000 -0.000 5.396) 5.396 27.512 ( 0.000 -0.000 0.371) 0.371 27.522 ( -0.000 -0.000 -2.563) 2.563 27.569 ( -0.000 0.000 -4.151) 4.151 27.647 ( -0.000 -0.000 4.848) 4.848 27.723 ( -0.000 -0.000 3.552) 3.552 27.801 ( 0.000 -0.000 0.074) 0.074 27.821 ( -0.000 -0.000 -1.015) 1.015 27.835 ( -0.000 -0.000 -0.934) 0.934 27.841 ( 0.000 -0.000 -0.715) 0.715 27.926 ( -0.000 -0.000 0.893) 0.893 27.931 ( 0.000 -0.000 0.813) 0.813 28.038 ( 0.000 0.000 2.062) 2.062 28.039 ( -0.000 -0.000 -3.267) 3.267 28.065 ( -0.000 -0.000 -2.720) 2.720 28.139 ( -0.000 -0.000 -3.208) 3.208 28.256 ( -0.000 -0.000 2.102) 2.102 28.261 ( -0.000 -0.000 -0.169) 0.169 28.270 ( 0.000 -0.000 -0.124) 0.124 28.374 ( -0.000 -0.000 -4.047) 4.047 28.470 ( -0.000 -0.000 -0.760) 0.760 28.472 ( 0.000 0.000 -0.783) 0.783 29.716 ( -0.000 -0.000 12.462) 12.462 30.158 ( -0.000 0.000 7.160) 7.160 30.161 ( 0.000 -0.000 7.221) 7.221 30.266 ( 0.000 -0.000 -11.690) 11.690 30.723 ( -0.000 0.000 -6.859) 6.859 30.726 ( 0.000 -0.000 -6.798) 6.798 ======================= Grid point 86 (17/24) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 16 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( -0.000 -0.000 -25.116) 25.116 1.058 ( 0.000 0.000 25.116) 25.116 1.094 ( 0.000 0.000 -26.742) 26.742 1.094 ( -0.000 -0.000 26.742) 26.742 1.971 ( 0.000 0.000 -14.673) 14.673 1.971 ( 0.000 -0.000 14.673) 14.673 2.058 ( -0.000 0.000 -0.911) 0.911 2.058 ( -0.000 0.000 0.911) 0.911 2.124 ( 0.000 0.000 -1.495) 1.495 2.124 ( 0.000 0.000 1.495) 1.495 2.224 ( 0.000 0.000 -29.356) 29.356 2.224 ( 0.000 -0.000 29.356) 29.356 2.657 ( 0.000 0.000 -0.749) 0.749 2.657 ( 0.000 0.000 0.749) 0.749 2.716 ( -0.000 0.000 -1.507) 1.507 2.716 ( 0.000 -0.000 1.507) 1.507 2.877 ( 0.000 0.000 -10.053) 10.053 2.877 ( -0.000 0.000 10.053) 10.053 3.025 ( 0.000 0.000 -0.732) 0.732 3.025 ( 0.000 0.000 0.732) 0.732 3.061 ( 0.000 0.000 -0.608) 0.608 3.061 ( 0.000 0.000 0.608) 0.608 3.288 ( 0.000 -0.000 -5.662) 5.662 3.288 ( 0.000 0.000 5.662) 5.662 3.347 ( 0.000 0.000 -0.251) 0.251 3.347 ( 0.000 0.000 0.251) 0.251 3.397 ( 0.000 0.000 -0.830) 0.830 3.397 ( -0.000 0.000 0.830) 0.830 3.717 ( -0.000 0.000 -7.234) 7.234 3.717 ( -0.000 -0.000 7.234) 7.234 3.743 ( 0.000 0.000 -9.093) 9.093 3.743 ( 0.000 0.000 9.093) 9.093 3.828 ( 0.000 0.000 -1.854) 1.854 3.828 ( 0.000 -0.000 1.854) 1.854 3.949 ( -0.000 0.000 -3.752) 3.752 3.949 ( 0.000 0.000 3.752) 3.752 4.061 ( -0.000 0.000 -4.951) 4.951 4.061 ( 0.000 0.000 4.951) 4.951 4.123 ( 0.000 0.000 -3.417) 3.417 4.123 ( 0.000 0.000 3.417) 3.417 4.125 ( -0.000 0.000 -5.963) 5.963 4.125 ( 0.000 0.000 5.963) 5.963 4.247 ( 0.000 0.000 -4.597) 4.597 4.247 ( 0.000 0.000 4.597) 4.597 4.291 ( 0.000 0.000 -0.430) 0.430 4.291 ( 0.000 0.000 0.430) 0.430 4.301 ( 0.000 -0.000 -3.620) 3.620 4.301 ( -0.000 0.000 3.620) 3.620 4.438 ( 0.000 0.000 -0.185) 0.185 4.438 ( 0.000 -0.000 0.185) 0.185 4.543 ( 0.000 0.000 -5.710) 5.710 4.543 ( 0.000 0.000 5.710) 5.710 4.567 ( 0.000 0.000 -10.830) 10.830 4.567 ( -0.000 0.000 10.830) 10.830 4.887 ( -0.000 0.000 -3.972) 3.972 4.887 ( -0.000 0.000 3.972) 3.972 4.902 ( -0.000 0.000 -3.910) 3.910 4.902 ( 0.000 0.000 3.910) 3.910 5.021 ( -0.000 0.000 -1.145) 1.145 5.021 ( 0.000 0.000 1.145) 1.145 5.095 ( 0.000 -0.000 -2.641) 2.641 5.095 ( -0.000 0.000 2.641) 2.641 5.119 ( 0.000 0.000 -8.911) 8.911 5.119 ( 0.000 -0.000 8.911) 8.911 5.164 ( 0.000 0.000 -5.558) 5.558 5.164 ( -0.000 0.000 5.558) 5.558 5.490 ( -0.000 0.000 -1.478) 1.478 5.490 ( 0.000 0.000 1.478) 1.478 5.492 ( 0.000 0.000 -1.081) 1.081 5.492 ( 0.000 0.000 1.081) 1.081 5.982 ( 0.000 0.000 -2.652) 2.652 5.982 ( -0.000 0.000 2.652) 2.652 6.010 ( 0.000 -0.000 -1.559) 1.559 6.010 ( 0.000 0.000 1.559) 1.559 6.092 ( 0.000 0.000 -4.585) 4.585 6.092 ( 0.000 0.000 4.585) 4.585 6.171 ( -0.000 0.000 -2.476) 2.476 6.171 ( 0.000 -0.000 2.476) 2.476 6.243 ( 0.000 0.000 -1.446) 1.446 6.243 ( -0.000 0.000 1.446) 1.446 6.272 ( 0.000 -0.000 -3.177) 3.177 6.272 ( 0.000 0.000 3.177) 3.177 6.414 ( 0.000 0.000 -1.152) 1.152 6.414 ( 0.000 -0.000 1.152) 1.152 6.422 ( 0.000 0.000 -1.243) 1.243 6.422 ( 0.000 0.000 1.243) 1.243 6.623 ( 0.000 0.000 -9.767) 9.767 6.623 ( -0.000 0.000 9.767) 9.767 6.694 ( -0.000 0.000 -2.508) 2.508 6.694 ( -0.000 0.000 2.508) 2.508 6.709 ( -0.000 0.000 -18.611) 18.611 6.709 ( -0.000 0.000 18.611) 18.611 6.766 ( 0.000 0.000 -2.088) 2.088 6.766 ( 0.000 0.000 2.088) 2.088 6.826 ( -0.000 0.000 -4.869) 4.869 6.826 ( 0.000 0.000 4.869) 4.869 7.067 ( -0.000 0.000 -7.319) 7.319 7.067 ( 0.000 0.000 7.319) 7.319 7.146 ( -0.000 0.000 -6.284) 6.284 7.146 ( 0.000 0.000 6.284) 6.284 7.211 ( -0.000 0.000 -0.302) 0.302 7.211 ( 0.000 0.000 0.302) 0.302 7.308 ( 0.000 0.000 -0.325) 0.325 7.308 ( 0.000 -0.000 0.325) 0.325 7.342 ( 0.000 0.000 -0.796) 0.796 7.342 ( 0.000 0.000 0.796) 0.796 7.472 ( 0.000 0.000 -1.452) 1.452 7.472 ( 0.000 0.000 1.452) 1.452 7.893 ( 0.000 0.000 -9.555) 9.555 7.893 ( 0.000 0.000 9.555) 9.555 7.916 ( 0.000 0.000 -3.904) 3.904 7.916 ( -0.000 0.000 3.904) 3.904 7.943 ( 0.000 0.000 -5.290) 5.290 7.943 ( 0.000 0.000 5.290) 5.290 8.049 ( 0.000 -0.000 -4.290) 4.290 8.049 ( 0.000 0.000 4.290) 4.290 8.053 ( -0.000 -0.000 -3.947) 3.947 8.053 ( 0.000 -0.000 3.947) 3.947 8.443 ( -0.000 0.000 -5.747) 5.747 8.443 ( -0.000 0.000 5.747) 5.747 8.804 ( -0.000 0.000 -1.407) 1.407 8.804 ( 0.000 0.000 1.407) 1.407 8.814 ( 0.000 0.000 -0.941) 0.941 8.814 ( 0.000 -0.000 0.941) 0.941 9.029 ( 0.000 0.000 -2.644) 2.644 9.029 ( 0.000 0.000 2.644) 2.644 9.337 ( 0.000 -0.000 -4.912) 4.912 9.337 ( 0.000 0.000 4.912) 4.912 9.353 ( -0.000 0.000 -4.019) 4.019 9.353 ( 0.000 0.000 4.019) 4.019 9.814 ( 0.000 0.000 -5.270) 5.270 9.814 ( 0.000 0.000 5.270) 5.270 9.820 ( 0.000 0.000 -5.555) 5.555 9.820 ( -0.000 0.000 5.555) 5.555 9.930 ( 0.000 -0.000 -4.070) 4.070 9.930 ( -0.000 0.000 4.070) 4.070 10.052 ( -0.000 0.000 -1.001) 1.001 10.052 ( 0.000 0.000 1.001) 1.001 10.088 ( 0.000 0.000 -0.913) 0.913 10.088 ( 0.000 0.000 0.913) 0.913 10.299 ( 0.000 0.000 -2.591) 2.591 10.299 ( -0.000 0.000 2.591) 2.591 10.656 ( 0.000 0.000 -8.031) 8.031 10.656 ( -0.000 0.000 8.031) 8.031 11.283 ( 0.000 0.000 -8.053) 8.053 11.283 ( 0.000 0.000 8.053) 8.053 11.288 ( 0.000 0.000 -7.655) 7.655 11.288 ( 0.000 0.000 7.655) 7.655 11.851 ( 0.000 0.000 -8.367) 8.367 11.851 ( 0.000 0.000 8.367) 8.367 13.008 ( 0.000 0.000 -12.983) 12.983 13.008 ( 0.000 0.000 12.983) 12.983 13.032 ( -0.000 0.000 -13.582) 13.582 13.032 ( 0.000 0.000 13.582) 13.582 13.326 ( 0.000 0.000 -6.607) 6.607 13.326 ( 0.000 0.000 6.607) 6.607 13.652 ( -0.000 0.000 -1.128) 1.128 13.652 ( 0.000 0.000 1.128) 1.128 13.653 ( 0.000 0.000 -1.653) 1.653 13.653 ( 0.000 0.000 1.653) 1.653 14.053 ( 0.000 -0.000 -0.306) 0.306 14.053 ( -0.000 0.000 0.306) 0.306 14.490 ( 0.000 0.000 -2.830) 2.830 14.490 ( -0.000 0.000 2.830) 2.830 14.494 ( -0.000 0.000 -3.267) 3.267 14.494 ( 0.000 0.000 3.267) 3.267 14.618 ( 0.000 0.000 -5.135) 5.135 14.618 ( -0.000 0.000 5.135) 5.135 14.734 ( -0.000 0.000 -11.528) 11.528 14.734 ( 0.000 0.000 11.528) 11.528 14.744 ( -0.000 0.000 -11.899) 11.899 14.744 ( -0.000 0.000 11.899) 11.899 15.355 ( 0.000 0.000 -4.004) 4.004 15.355 ( 0.000 0.000 4.004) 4.004 15.356 ( 0.000 -0.000 -4.222) 4.222 15.356 ( -0.000 0.000 4.222) 4.222 15.402 ( 0.000 0.000 -0.276) 0.276 15.402 ( 0.000 -0.000 0.276) 0.276 15.837 ( -0.000 0.000 -1.464) 1.464 15.837 ( 0.000 -0.000 1.464) 1.464 16.181 ( 0.000 0.000 -1.920) 1.920 16.181 ( 0.000 -0.000 1.920) 1.920 16.206 ( 0.000 0.000 -1.738) 1.738 16.206 ( -0.000 0.000 1.738) 1.738 16.400 ( -0.000 0.000 -0.332) 0.332 16.400 ( -0.000 0.000 0.332) 0.332 20.574 ( 0.000 -0.000 -0.856) 0.856 20.574 ( 0.000 0.000 0.856) 0.856 20.592 ( 0.000 0.000 -0.856) 0.856 20.592 ( 0.000 -0.000 0.856) 0.856 21.042 ( 0.000 0.000 -2.231) 2.231 21.042 ( 0.000 0.000 2.231) 2.231 25.180 ( -0.000 0.000 -0.680) 0.680 25.180 ( -0.000 0.000 0.680) 0.680 25.205 ( 0.000 0.000 -0.703) 0.703 25.205 ( 0.000 0.000 0.703) 0.703 26.027 ( 0.000 0.000 -3.640) 3.640 26.027 ( 0.000 0.000 3.640) 3.640 26.963 ( 0.000 0.000 -0.174) 0.174 26.963 ( 0.000 0.000 0.174) 0.174 27.066 ( -0.000 0.000 -0.112) 0.112 27.066 ( 0.000 0.000 0.112) 0.112 27.257 ( 0.000 0.000 -0.595) 0.595 27.257 ( 0.000 0.000 0.595) 0.595 27.288 ( -0.000 -0.000 -0.418) 0.418 27.288 ( 0.000 0.000 0.418) 0.418 27.457 ( -0.000 -0.000 -2.351) 2.351 27.457 ( 0.000 0.000 2.351) 2.351 27.477 ( 0.000 0.000 -2.520) 2.520 27.477 ( 0.000 0.000 2.520) 2.520 27.506 ( -0.000 0.000 -0.310) 0.310 27.506 ( 0.000 0.000 0.310) 0.310 27.749 ( -0.000 -0.000 -0.724) 0.724 27.749 ( -0.000 -0.000 0.724) 0.724 27.782 ( -0.000 0.000 -0.197) 0.197 27.782 ( 0.000 0.000 0.197) 0.197 27.938 ( 0.000 0.000 -6.811) 6.811 27.938 ( -0.000 0.000 6.811) 6.811 27.954 ( 0.000 0.000 -0.521) 0.521 27.954 ( -0.000 0.000 0.521) 0.521 27.963 ( -0.000 0.000 -0.033) 0.033 27.963 ( 0.000 0.000 0.033) 0.033 28.176 ( -0.000 -0.000 -2.209) 2.209 28.176 ( 0.000 0.000 2.209) 2.209 28.205 ( -0.000 0.000 -2.201) 2.201 28.205 ( 0.000 0.000 2.201) 2.201 28.349 ( 0.000 0.000 -6.047) 6.047 28.349 ( -0.000 0.000 6.047) 6.047 29.821 ( 0.000 0.000 -0.077) 0.077 29.821 ( 0.000 0.000 0.077) 0.077 30.485 ( 0.000 0.000 -7.487) 7.487 30.485 ( 0.000 0.000 7.487) 7.487 30.893 ( 0.000 0.000 -6.328) 6.328 30.893 ( -0.000 0.000 6.328) 6.328 ======================= Grid point 88 (18/24) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 14.441 8.954 -19.314) 25.724 1.276 ( 14.441 8.954 19.314) 25.724 1.439 ( 22.606 12.472 -16.775) 30.790 1.439 ( 22.606 12.472 16.775) 30.790 1.931 ( -1.603 -0.956 -4.501) 4.872 1.931 ( -1.603 -0.956 4.501) 4.872 2.093 ( 2.000 1.066 -3.243) 3.956 2.093 ( 2.000 1.066 3.243) 3.956 2.171 ( 3.311 1.292 -9.221) 9.882 2.171 ( 3.311 1.292 9.221) 9.882 2.334 ( 9.859 6.673 -19.667) 22.990 2.334 ( 9.859 6.673 19.667) 22.990 2.627 ( -2.021 -1.025 -3.194) 3.916 2.627 ( -2.021 -1.025 3.194) 3.916 2.746 ( 3.238 1.539 -1.277) 3.806 2.746 ( 3.238 1.539 1.277) 3.806 2.860 ( -0.546 -0.391 -4.903) 4.949 2.860 ( -0.546 -0.391 4.903) 4.949 3.041 ( -0.462 -1.044 -1.261) 1.701 3.041 ( -0.462 -1.044 1.261) 1.701 3.092 ( 1.505 1.500 -3.454) 4.055 3.092 ( 1.505 1.500 3.454) 4.055 3.194 ( -3.150 -1.728 -9.294) 9.965 3.194 ( -3.150 -1.728 9.294) 9.965 3.368 ( 1.464 1.003 -1.650) 2.423 3.368 ( 1.464 1.003 1.650) 2.423 3.443 ( 1.397 0.855 -1.377) 2.140 3.443 ( 1.397 0.855 1.377) 2.140 3.667 ( -2.781 -1.699 -5.011) 5.978 3.667 ( -2.781 -1.699 5.011) 5.978 3.750 ( -0.664 -0.012 -7.364) 7.394 3.750 ( -0.664 -0.012 7.364) 7.394 3.812 ( -0.049 -0.544 -6.085) 6.110 3.812 ( -0.049 -0.544 6.085) 6.110 3.924 ( -0.510 -0.296 -1.335) 1.459 3.924 ( -0.510 -0.296 1.335) 1.459 4.034 ( -2.582 -1.561 -3.987) 5.000 4.034 ( -2.582 -1.561 3.987) 5.000 4.073 ( -2.649 -0.286 -2.562) 3.696 4.073 ( -2.649 -0.286 2.562) 3.696 4.122 ( 0.679 -0.254 -2.623) 2.722 4.122 ( 0.679 -0.254 2.623) 2.722 4.251 ( -1.565 -1.566 -0.823) 2.361 4.251 ( -1.565 -1.566 0.823) 2.361 4.305 ( 3.480 2.224 -3.378) 5.335 4.305 ( 3.480 2.224 3.378) 5.335 4.378 ( 2.765 0.971 -1.852) 3.467 4.378 ( 2.765 0.971 1.852) 3.467 4.433 ( 2.854 2.106 -1.441) 3.828 4.433 ( 2.854 2.106 1.441) 3.828 4.592 ( 1.896 1.202 -6.132) 6.530 4.592 ( 1.896 1.202 6.132) 6.530 4.675 ( 6.639 3.748 -3.724) 8.485 4.675 ( 6.639 3.748 3.724) 8.485 4.884 ( -0.892 -0.204 -4.201) 4.300 4.884 ( -0.892 -0.204 4.201) 4.300 4.926 ( 0.700 0.475 -3.049) 3.164 4.926 ( 0.700 0.475 3.049) 3.164 4.997 ( -1.298 -0.331 -2.008) 2.414 4.997 ( -1.298 -0.331 2.008) 2.414 5.052 ( -1.078 -1.070 -2.128) 2.614 5.052 ( -1.078 -1.070 2.128) 2.614 5.158 ( 2.436 0.852 -6.510) 7.003 5.158 ( 2.436 0.852 6.510) 7.003 5.206 ( 2.060 1.544 -4.915) 5.548 5.206 ( 2.060 1.544 4.915) 5.548 5.481 ( -2.199 -1.226 -2.419) 3.492 5.481 ( -2.199 -1.226 2.419) 3.492 5.508 ( 0.994 0.457 -1.491) 1.849 5.508 ( 0.994 0.457 1.491) 1.849 5.731 ( -14.230 -8.057 -4.118) 16.863 5.731 ( -14.230 -8.057 4.118) 16.863 5.909 ( -7.264 -5.919 -1.493) 9.488 5.909 ( -7.264 -5.919 1.493) 9.488 6.020 ( -5.529 -1.650 -2.279) 6.204 6.020 ( -5.529 -1.650 2.279) 6.204 6.133 ( -4.622 -0.496 -2.165) 5.127 6.133 ( -4.622 -0.496 2.165) 5.127 6.219 ( -2.528 -3.183 -1.781) 4.438 6.219 ( -2.528 -3.183 1.781) 4.438 6.277 ( -5.030 -4.099 -1.298) 6.617 6.277 ( -5.030 -4.099 1.298) 6.617 6.357 ( -1.526 -0.792 -2.890) 3.363 6.357 ( -1.526 -0.792 2.890) 3.363 6.447 ( -6.523 -3.015 -2.245) 7.528 6.447 ( -6.523 -3.015 2.245) 7.528 6.511 ( 2.283 1.765 -1.360) 3.190 6.511 ( 2.283 1.765 1.360) 3.190 6.614 ( -2.484 -0.846 -1.430) 2.989 6.614 ( -2.484 -0.846 1.430) 2.989 6.671 ( -4.148 -1.269 -4.260) 6.080 6.671 ( -4.148 -1.269 4.260) 6.080 6.752 ( 2.663 -0.683 -1.298) 3.041 6.752 ( 2.663 -0.683 1.298) 3.041 6.937 ( 2.645 1.264 -3.895) 4.875 6.937 ( 2.645 1.264 3.895) 4.875 7.036 ( -3.656 -0.957 -1.802) 4.187 7.036 ( -3.656 -0.957 1.802) 4.187 7.102 ( -0.390 -1.286 -1.653) 2.130 7.102 ( -0.390 -1.286 1.653) 2.130 7.228 ( 0.514 0.129 -1.587) 1.673 7.228 ( 0.514 0.129 1.587) 1.673 7.254 ( -0.054 0.082 -0.621) 0.629 7.254 ( -0.054 0.082 0.621) 0.629 7.395 ( -0.106 -0.003 -2.805) 2.807 7.395 ( -0.106 -0.003 2.805) 2.807 7.483 ( -2.100 -0.998 -1.451) 2.741 7.483 ( -2.100 -0.998 1.451) 2.741 7.839 ( -0.569 -2.157 -1.323) 2.594 7.839 ( -0.569 -2.157 1.323) 2.594 7.928 ( -2.477 2.860 -1.051) 3.927 7.928 ( -2.477 2.860 1.051) 3.927 7.985 ( 3.696 0.213 -1.599) 4.033 7.985 ( 3.696 0.213 1.599) 4.033 8.050 ( 1.472 1.030 -1.688) 2.465 8.050 ( 1.472 1.030 1.688) 2.465 8.185 ( 8.914 3.939 -4.704) 10.822 8.185 ( 8.914 3.939 4.704) 10.822 8.429 ( -0.893 0.140 -4.887) 4.970 8.429 ( -0.893 0.140 4.887) 4.970 8.788 ( -0.428 -0.764 -2.583) 2.728 8.788 ( -0.428 -0.764 2.583) 2.728 8.884 ( 4.144 2.883 -1.532) 5.275 8.884 ( 4.144 2.883 1.532) 5.275 9.099 ( 2.899 1.549 -0.809) 3.385 9.099 ( 2.899 1.549 0.809) 3.385 9.355 ( 1.341 0.875 -5.974) 6.185 9.355 ( 1.341 0.875 5.974) 6.185 9.372 ( 2.550 1.409 -4.771) 5.590 9.372 ( 2.550 1.409 4.771) 5.590 9.766 ( -3.623 -2.286 -3.757) 5.698 9.766 ( -3.623 -2.286 3.757) 5.698 9.847 ( 2.161 1.460 -5.267) 5.877 9.847 ( 2.161 1.460 5.267) 5.877 9.924 ( -0.587 -0.284 -1.204) 1.369 9.924 ( -0.587 -0.284 1.204) 1.369 10.057 ( 0.001 -0.153 -1.280) 1.289 10.057 ( 0.001 -0.153 1.280) 1.289 10.094 ( 0.873 0.563 -1.051) 1.478 10.094 ( 0.873 0.563 1.051) 1.478 10.295 ( -1.262 -0.698 -3.504) 3.789 10.295 ( -1.262 -0.698 3.504) 3.789 10.602 ( -3.246 -1.891 -7.445) 8.339 10.602 ( -3.246 -1.891 7.445) 8.339 11.302 ( 1.335 0.906 -7.491) 7.662 11.302 ( 1.335 0.906 7.491) 7.662 11.314 ( 2.255 1.161 -6.478) 6.956 11.314 ( 2.255 1.161 6.478) 6.956 11.783 ( -4.975 -2.870 -8.573) 10.319 11.783 ( -4.975 -2.870 8.573) 10.319 13.002 ( -0.904 -0.532 -11.000) 11.050 13.002 ( -0.904 -0.532 11.000) 11.050 13.041 ( 1.198 0.706 -13.156) 13.229 13.041 ( 1.198 0.706 13.156) 13.229 13.288 ( -2.445 -1.411 -7.100) 7.640 13.288 ( -2.445 -1.411 7.100) 7.640 13.567 ( -5.606 -3.201 -2.874) 7.066 13.567 ( -5.606 -3.201 2.874) 7.066 13.678 ( 1.585 0.858 -1.983) 2.680 13.678 ( 1.585 0.858 1.983) 2.680 14.084 ( 2.006 1.162 -1.589) 2.810 14.084 ( 2.006 1.162 1.589) 2.810 14.481 ( -1.381 -0.883 -6.191) 6.404 14.481 ( -1.381 -0.883 6.191) 6.404 14.528 ( 2.440 1.626 -4.085) 5.028 14.528 ( 2.440 1.626 4.085) 5.028 14.615 ( 0.667 0.272 -5.108) 5.159 14.615 ( 0.667 0.272 5.108) 5.159 14.723 ( -0.852 -0.591 -11.587) 11.634 14.723 ( -0.852 -0.591 11.587) 11.634 14.784 ( 2.828 1.721 -4.735) 5.778 14.784 ( 2.828 1.721 4.735) 5.778 15.320 ( -3.849 -1.896 -6.734) 7.985 15.320 ( -3.849 -1.896 6.734) 7.985 15.342 ( -0.473 -0.957 -2.639) 2.847 15.342 ( -0.473 -0.957 2.639) 2.847 15.437 ( 1.964 1.536 -1.570) 2.946 15.437 ( 1.964 1.536 1.570) 2.946 15.676 ( -8.137 -4.753 -5.803) 11.067 15.676 ( -8.137 -4.753 5.803) 11.067 16.210 ( 1.739 1.016 -3.045) 3.651 16.210 ( 1.739 1.016 3.045) 3.651 16.235 ( 1.510 0.885 -3.823) 4.205 16.235 ( 1.510 0.885 3.823) 4.205 16.395 ( -0.327 -0.196 -0.775) 0.863 16.395 ( -0.327 -0.196 0.775) 0.863 20.564 ( -0.936 -0.535 -1.654) 1.974 20.564 ( -0.936 -0.535 1.654) 1.974 20.586 ( -0.229 -0.135 -1.407) 1.431 20.586 ( -0.229 -0.135 1.407) 1.431 21.043 ( 0.253 0.143 -1.975) 1.996 21.043 ( 0.253 0.143 1.975) 1.996 25.187 ( 0.345 0.202 -2.235) 2.270 25.187 ( 0.345 0.202 2.235) 2.270 25.216 ( 1.103 0.635 -2.164) 2.510 25.216 ( 1.103 0.635 2.164) 2.510 25.776 ( -13.932 -8.044 -9.235) 18.550 25.776 ( -13.932 -8.044 9.235) 18.550 26.979 ( 1.145 0.647 -2.388) 2.726 26.979 ( 1.145 0.647 2.388) 2.726 27.073 ( 0.218 0.146 -2.469) 2.483 27.073 ( 0.218 0.146 2.469) 2.483 27.273 ( 0.538 0.170 -0.575) 0.806 27.273 ( 0.538 0.170 0.575) 0.806 27.310 ( -0.623 -0.101 -1.309) 1.453 27.310 ( -0.623 -0.101 1.309) 1.453 27.442 ( -1.041 -1.164 -2.999) 3.381 27.442 ( -1.041 -1.164 2.999) 3.381 27.508 ( 1.626 1.616 -0.984) 2.495 27.508 ( 1.626 1.616 0.984) 2.495 27.602 ( 6.357 3.437 -2.742) 7.730 27.602 ( 6.357 3.437 2.742) 7.730 27.763 ( 0.334 0.337 -0.968) 1.078 27.763 ( 0.334 0.337 0.968) 1.078 27.808 ( 2.151 1.073 -1.533) 2.851 27.808 ( 2.151 1.073 1.533) 2.851 27.915 ( -0.321 -0.403 -3.925) 3.959 27.915 ( -0.321 -0.403 3.925) 3.959 27.994 ( 1.772 1.699 -1.195) 2.730 27.994 ( 1.772 1.699 1.195) 2.730 28.020 ( 4.573 2.213 -1.872) 5.414 28.020 ( 4.573 2.213 1.872) 5.414 28.162 ( -1.193 -0.816 -0.679) 1.597 28.162 ( -1.193 -0.816 0.679) 1.597 28.249 ( 3.818 2.472 -2.375) 5.131 28.249 ( 3.818 2.472 2.375) 5.131 28.345 ( -0.470 -0.434 -5.220) 5.259 28.345 ( -0.470 -0.434 5.220) 5.259 29.883 ( 4.110 2.385 -9.613) 10.723 29.883 ( 4.110 2.385 9.613) 10.723 30.432 ( -4.167 -2.408 -7.847) 9.205 30.432 ( -4.167 -2.408 7.847) 9.205 30.840 ( -4.082 -2.356 -6.689) 8.183 30.840 ( -4.082 -2.356 6.689) 8.183 ======================= Grid point 90 (19/24) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 6.390 6.204 -7.343) 11.543 1.598 ( 6.390 6.204 7.343) 11.543 1.763 ( 6.832 2.040 -6.086) 9.374 1.763 ( 6.832 2.040 6.086) 9.374 1.999 ( 6.896 3.241 -11.027) 13.404 1.999 ( 6.896 3.241 11.027) 13.404 2.194 ( 5.475 3.252 -4.944) 8.061 2.194 ( 5.475 3.252 4.944) 8.061 2.248 ( 4.670 0.139 -6.942) 8.368 2.248 ( 4.670 0.139 6.942) 8.368 2.548 ( 2.382 6.729 -4.240) 8.302 2.548 ( 2.382 6.729 4.240) 8.302 2.720 ( 2.469 1.657 -6.837) 7.456 2.720 ( 2.469 1.657 6.837) 7.456 2.781 ( 2.271 2.675 -2.218) 4.152 2.781 ( 2.271 2.675 2.218) 4.152 2.883 ( 4.296 -1.709 -3.691) 5.916 2.883 ( 4.296 -1.709 3.691) 5.916 2.998 ( 3.353 -1.657 -4.132) 5.573 2.998 ( 3.353 -1.657 4.132) 5.573 3.140 ( 2.153 1.585 -5.905) 6.481 3.140 ( 2.153 1.585 5.905) 6.481 3.216 ( 2.383 4.087 -2.125) 5.186 3.216 ( 2.383 4.087 2.125) 5.186 3.379 ( -0.635 1.424 -2.173) 2.674 3.379 ( -0.635 1.424 2.173) 2.674 3.450 ( 0.096 -2.600 -5.090) 5.716 3.450 ( 0.096 -2.600 5.090) 5.716 3.644 ( 1.110 3.335 -2.882) 4.545 3.644 ( 1.110 3.335 2.882) 4.545 3.735 ( 1.333 1.267 -4.677) 5.026 3.735 ( 1.333 1.267 4.677) 5.026 3.842 ( 1.404 -0.894 -2.778) 3.238 3.842 ( 1.404 -0.894 2.778) 3.238 3.924 ( -0.233 1.244 -5.710) 5.848 3.924 ( -0.233 1.244 5.710) 5.848 4.014 ( -0.412 0.847 -3.116) 3.255 4.014 ( -0.412 0.847 3.116) 3.255 4.056 ( 1.656 1.140 -0.996) 2.244 4.056 ( 1.656 1.140 0.996) 2.244 4.145 ( 2.489 0.192 -2.906) 3.831 4.145 ( 2.489 0.192 2.906) 3.831 4.221 ( -0.286 0.177 -2.550) 2.572 4.221 ( -0.286 0.177 2.550) 2.572 4.376 ( 2.025 -2.182 -2.403) 3.825 4.376 ( 2.025 -2.182 2.403) 3.825 4.430 ( 2.649 0.534 -3.018) 4.051 4.430 ( 2.649 0.534 3.018) 4.051 4.496 ( 1.064 -0.096 -2.732) 2.934 4.496 ( 1.064 -0.096 2.732) 2.934 4.595 ( -4.174 0.305 -4.989) 6.511 4.595 ( -4.174 0.305 4.989) 6.511 4.727 ( -4.152 -3.625 -1.773) 5.790 4.727 ( -4.152 -3.625 1.773) 5.790 4.862 ( -1.908 2.418 -0.511) 3.122 4.862 ( -1.908 2.418 0.511) 3.122 4.915 ( 0.400 -1.761 -2.843) 3.368 4.915 ( 0.400 -1.761 2.843) 3.368 4.966 ( -3.421 0.260 -3.459) 4.872 4.966 ( -3.421 0.260 3.459) 4.872 5.034 ( -1.248 -1.636 -2.737) 3.425 5.034 ( -1.248 -1.636 2.737) 3.425 5.156 ( 0.113 -0.811 -4.402) 4.478 5.156 ( 0.113 -0.811 4.402) 4.478 5.243 ( 0.317 -1.439 -2.118) 2.580 5.243 ( 0.317 -1.439 2.118) 2.580 5.349 ( -3.651 -1.255 -3.981) 5.546 5.349 ( -3.651 -1.255 3.981) 5.546 5.522 ( 0.288 -2.337 -5.212) 5.719 5.522 ( 0.288 -2.337 5.212) 5.719 5.585 ( -4.491 -2.018 -2.425) 5.488 5.585 ( -4.491 -2.018 2.425) 5.488 5.700 ( -3.961 -2.029 -2.785) 5.250 5.700 ( -3.961 -2.029 2.785) 5.250 5.860 ( -7.655 -2.553 -3.158) 8.665 5.860 ( -7.655 -2.553 3.158) 8.665 6.000 ( -4.230 -0.873 -3.702) 5.689 6.000 ( -4.230 -0.873 3.702) 5.689 6.077 ( -3.710 -5.058 -0.913) 6.339 6.077 ( -3.710 -5.058 0.913) 6.339 6.199 ( -2.644 1.680 -4.565) 5.537 6.199 ( -2.644 1.680 4.565) 5.537 6.319 ( -3.206 -3.564 -0.574) 4.828 6.319 ( -3.206 -3.564 0.574) 4.828 6.390 ( -3.767 3.389 -5.474) 7.459 6.390 ( -3.767 3.389 5.474) 7.459 6.495 ( -0.861 -1.176 -3.951) 4.211 6.495 ( -0.861 -1.176 3.951) 4.211 6.592 ( 1.103 -2.102 -2.814) 3.682 6.592 ( 1.103 -2.102 2.814) 3.682 6.646 ( 0.995 1.023 -2.807) 3.149 6.646 ( 0.995 1.023 2.807) 3.149 6.790 ( 1.534 -0.813 -2.218) 2.817 6.790 ( 1.534 -0.813 2.218) 2.817 6.896 ( -2.361 -3.260 -1.844) 4.427 6.896 ( -2.361 -3.260 1.844) 4.427 7.019 ( 0.847 0.537 -0.962) 1.390 7.019 ( 0.847 0.537 0.962) 1.390 7.097 ( 0.332 -2.231 -3.551) 4.207 7.097 ( 0.332 -2.231 3.551) 4.207 7.211 ( -3.647 -0.952 -2.308) 4.420 7.211 ( -3.647 -0.952 2.308) 4.420 7.236 ( -2.450 0.759 -3.094) 4.019 7.236 ( -2.450 0.759 3.094) 4.019 7.316 ( -2.934 -1.877 -2.075) 4.054 7.316 ( -2.934 -1.877 2.075) 4.054 7.435 ( -1.843 -0.463 -2.089) 2.824 7.435 ( -1.843 -0.463 2.089) 2.824 7.853 ( 3.427 -2.138 -1.809) 4.426 7.853 ( 3.427 -2.138 1.809) 4.426 7.931 ( -1.192 4.951 -2.336) 5.602 7.931 ( -1.192 4.951 2.336) 5.602 8.051 ( 1.972 0.825 -1.654) 2.703 8.051 ( 1.972 0.825 1.654) 2.703 8.132 ( 5.212 1.866 -3.423) 6.509 8.132 ( 5.212 1.866 3.423) 6.509 8.346 ( 6.090 0.661 -2.030) 6.454 8.346 ( 6.090 0.661 2.030) 6.454 8.422 ( -1.369 1.666 -5.552) 5.956 8.422 ( -1.369 1.666 5.552) 5.956 8.781 ( -0.217 -0.255 -2.355) 2.379 8.781 ( -0.217 -0.255 2.355) 2.379 8.963 ( 1.882 1.795 -2.594) 3.673 8.963 ( 1.882 1.795 2.594) 3.673 9.084 ( -2.782 -2.031 -2.183) 4.078 9.084 ( -2.782 -2.031 2.183) 4.078 9.380 ( 0.732 0.360 -4.592) 4.664 9.380 ( 0.732 0.360 4.592) 4.664 9.490 ( 5.362 3.133 -2.367) 6.646 9.490 ( 5.362 3.133 2.367) 6.646 9.687 ( -1.662 -1.268 -3.250) 3.864 9.687 ( -1.662 -1.268 3.250) 3.864 9.891 ( -0.082 0.529 -4.207) 4.241 9.891 ( -0.082 0.529 4.207) 4.241 9.906 ( -0.349 -0.151 -2.246) 2.278 9.906 ( -0.349 -0.151 2.246) 2.278 10.026 ( -2.838 -1.766 -1.824) 3.808 10.026 ( -2.838 -1.766 1.824) 3.808 10.123 ( 1.219 0.307 -1.406) 1.886 10.123 ( 1.219 0.307 1.406) 1.886 10.231 ( -2.580 -1.100 -4.102) 4.969 10.231 ( -2.580 -1.100 4.102) 4.969 10.565 ( 0.176 -0.054 -3.037) 3.043 10.565 ( 0.176 -0.054 3.037) 3.043 11.340 ( 1.352 1.209 -4.389) 4.749 11.340 ( 1.352 1.209 4.389) 4.749 11.382 ( 3.499 1.513 -4.275) 5.728 11.382 ( 3.499 1.513 4.275) 5.728 11.655 ( -5.217 -2.958 -8.920) 10.749 11.655 ( -5.217 -2.958 8.920) 10.749 12.975 ( -1.031 -0.627 -5.560) 5.690 12.975 ( -1.031 -0.627 5.560) 5.690 13.080 ( 1.712 1.065 -13.232) 13.385 13.080 ( 1.712 1.065 13.232) 13.385 13.234 ( -1.920 -1.116 -5.268) 5.717 13.234 ( -1.920 -1.116 5.268) 5.717 13.450 ( -3.641 -2.095 -4.435) 6.109 13.450 ( -3.641 -2.095 4.435) 6.109 13.706 ( 0.773 0.310 -1.942) 2.113 13.706 ( 0.773 0.310 1.942) 2.113 14.130 ( 1.622 0.945 -3.867) 4.298 14.130 ( 1.622 0.945 3.867) 4.298 14.429 ( -2.256 -1.397 -4.341) 5.088 14.429 ( -2.256 -1.397 4.341) 5.088 14.579 ( 0.672 1.475 -2.954) 3.370 14.579 ( 0.672 1.475 2.954) 3.370 14.647 ( 1.747 0.242 -8.900) 9.073 14.647 ( 1.747 0.242 8.900) 9.073 14.734 ( 2.845 1.106 -7.611) 8.201 14.734 ( 2.845 1.106 7.611) 8.201 14.846 ( 1.709 1.314 -1.210) 2.472 14.846 ( 1.709 1.314 1.210) 2.472 15.169 ( -7.234 -4.567 -14.615) 16.935 15.169 ( -7.234 -4.567 14.615) 16.935 15.329 ( -0.024 -0.528 -2.131) 2.195 15.329 ( -0.024 -0.528 2.131) 2.195 15.481 ( 0.585 2.167 -3.847) 4.454 15.481 ( 0.585 2.167 3.847) 4.454 15.586 ( 0.019 -0.931 -1.890) 2.107 15.586 ( 0.019 -0.931 1.890) 2.107 16.244 ( 0.621 0.476 -3.786) 3.866 16.244 ( 0.621 0.476 3.786) 3.866 16.266 ( 1.287 0.761 -2.732) 3.115 16.266 ( 1.287 0.761 2.732) 3.115 16.389 ( -0.126 -0.120 -1.065) 1.079 16.389 ( -0.126 -0.120 1.065) 1.079 20.540 ( -0.880 -0.481 -2.595) 2.782 20.540 ( -0.880 -0.481 2.595) 2.782 20.583 ( -0.085 -0.061 -2.155) 2.158 20.583 ( -0.085 -0.061 2.155) 2.158 21.055 ( 0.603 0.332 -2.135) 2.243 21.055 ( 0.603 0.332 2.135) 2.243 25.191 ( 0.011 0.020 -1.966) 1.966 25.191 ( 0.011 0.020 1.966) 1.966 25.258 ( 2.190 1.256 -1.405) 2.889 25.258 ( 2.190 1.256 1.405) 2.889 25.520 ( -7.454 -4.310 -7.779) 11.604 25.520 ( -7.454 -4.310 7.779) 11.604 27.007 ( 1.063 0.509 -3.344) 3.545 27.007 ( 1.063 0.509 3.344) 3.545 27.080 ( 0.333 0.248 -3.559) 3.583 27.080 ( 0.333 0.248 3.559) 3.583 27.249 ( -2.237 -1.249 -0.938) 2.728 27.249 ( -2.237 -1.249 0.938) 2.728 27.299 ( 0.046 0.612 -2.084) 2.173 27.299 ( 0.046 0.612 2.084) 2.173 27.413 ( -0.846 -1.687 -2.586) 3.202 27.413 ( -0.846 -1.687 2.586) 3.202 27.575 ( 2.998 2.837 -2.309) 4.730 27.575 ( 2.998 2.837 2.309) 4.730 27.702 ( 2.653 1.517 -1.535) 3.420 27.702 ( 2.653 1.517 1.535) 3.420 27.765 ( 0.384 0.278 -1.098) 1.195 27.765 ( 0.384 0.278 1.098) 1.195 27.855 ( 0.897 0.778 -2.172) 2.476 27.855 ( 0.897 0.778 2.172) 2.476 27.906 ( 0.631 -1.929 -1.861) 2.753 27.906 ( 0.631 -1.929 1.861) 2.753 28.000 ( -2.915 0.226 -3.774) 4.774 28.000 ( -2.915 0.226 3.774) 4.774 28.102 ( 2.497 0.206 -2.272) 3.383 28.102 ( 2.497 0.206 2.272) 3.383 28.201 ( 2.872 3.246 -1.214) 4.501 28.201 ( 2.872 3.246 1.214) 4.501 28.314 ( 0.422 0.513 -4.961) 5.005 28.314 ( 0.422 0.513 4.961) 5.005 28.363 ( 3.668 1.002 -1.965) 4.280 28.363 ( 3.668 1.002 1.965) 4.280 29.972 ( 2.874 1.772 -16.810) 17.146 29.972 ( 2.874 1.772 16.810) 17.146 30.319 ( -4.414 -2.593 -7.848) 9.370 30.319 ( -4.414 -2.593 7.848) 9.370 30.728 ( -4.644 -2.671 -6.578) 8.483 30.728 ( -4.644 -2.671 6.578) 8.483 ======================= Grid point 92 (20/24) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 0.000 0.000 -6.390) 6.390 1.636 ( 0.000 0.000 6.390) 6.390 1.860 ( 0.000 0.000 -6.275) 6.275 1.860 ( 0.000 0.000 6.275) 6.275 2.116 ( 0.000 0.000 -12.048) 12.048 2.116 ( 0.000 0.000 12.048) 12.048 2.199 ( 0.000 0.000 -2.242) 2.242 2.199 ( 0.000 0.000 2.242) 2.242 2.396 ( 0.000 0.000 -2.941) 2.941 2.396 ( 0.000 0.000 2.941) 2.941 2.560 ( 0.000 0.000 -5.988) 5.988 2.560 ( 0.000 0.000 5.988) 5.988 2.686 ( 0.000 0.000 -6.510) 6.510 2.686 ( 0.000 0.000 6.510) 6.510 2.818 ( 0.000 0.000 -0.972) 0.972 2.818 ( 0.000 0.000 0.972) 0.972 2.874 ( 0.000 0.000 -1.479) 1.479 2.874 ( 0.000 0.000 1.479) 1.479 3.109 ( 0.000 0.000 -7.491) 7.491 3.109 ( 0.000 -0.000 7.491) 7.491 3.181 ( 0.000 0.000 -3.653) 3.653 3.181 ( 0.000 0.000 3.653) 3.653 3.261 ( 0.000 -0.000 -4.317) 4.317 3.261 ( 0.000 0.000 4.317) 4.317 3.406 ( 0.000 0.000 -6.161) 6.161 3.406 ( 0.000 0.000 6.161) 6.161 3.441 ( 0.000 0.000 -5.101) 5.101 3.441 ( 0.000 0.000 5.101) 5.101 3.711 ( 0.000 0.000 -1.864) 1.864 3.711 ( 0.000 0.000 1.864) 1.864 3.811 ( 0.000 -0.000 -3.201) 3.201 3.811 ( 0.000 -0.000 3.201) 3.201 3.855 ( 0.000 0.000 -0.806) 0.806 3.855 ( 0.000 0.000 0.806) 0.806 3.964 ( 0.000 0.000 -1.392) 1.392 3.964 ( 0.000 0.000 1.392) 1.392 4.007 ( 0.000 0.000 -1.370) 1.370 4.007 ( 0.000 0.000 1.370) 1.370 4.081 ( 0.000 0.000 -0.318) 0.318 4.081 ( 0.000 0.000 0.318) 0.318 4.177 ( 0.000 0.000 -0.357) 0.357 4.177 ( 0.000 0.000 0.357) 0.357 4.255 ( 0.000 0.000 -3.202) 3.202 4.255 ( 0.000 0.000 3.202) 3.202 4.319 ( 0.000 -0.000 -0.955) 0.955 4.319 ( 0.000 -0.000 0.955) 0.955 4.382 ( 0.000 0.000 -1.208) 1.208 4.382 ( 0.000 -0.000 1.208) 1.208 4.482 ( -0.000 0.000 -1.576) 1.576 4.482 ( 0.000 0.000 1.576) 1.576 4.534 ( 0.000 -0.000 -0.247) 0.247 4.534 ( 0.000 -0.000 0.247) 0.247 4.658 ( 0.000 0.000 -0.659) 0.659 4.658 ( 0.000 0.000 0.659) 0.659 4.823 ( 0.000 0.000 -0.191) 0.191 4.823 ( 0.000 -0.000 0.191) 0.191 4.894 ( 0.000 0.000 -3.187) 3.187 4.894 ( 0.000 -0.000 3.187) 3.187 4.952 ( 0.000 0.000 -3.880) 3.880 4.952 ( 0.000 0.000 3.880) 3.880 5.032 ( 0.000 0.000 -0.421) 0.421 5.032 ( 0.000 0.000 0.421) 0.421 5.176 ( 0.000 0.000 -6.955) 6.955 5.176 ( 0.000 0.000 6.955) 6.955 5.222 ( 0.000 0.000 -2.798) 2.798 5.222 ( 0.000 -0.000 2.798) 2.798 5.327 ( 0.000 0.000 -2.096) 2.096 5.327 ( 0.000 0.000 2.096) 2.096 5.445 ( 0.000 0.000 -1.387) 1.387 5.445 ( 0.000 0.000 1.387) 1.387 5.540 ( 0.000 -0.000 -6.148) 6.148 5.540 ( 0.000 0.000 6.148) 6.148 5.663 ( 0.000 0.000 -1.548) 1.548 5.663 ( 0.000 0.000 1.548) 1.548 5.825 ( 0.000 0.000 -0.592) 0.592 5.825 ( 0.000 0.000 0.592) 0.592 5.982 ( 0.000 -0.000 -0.349) 0.349 5.982 ( 0.000 -0.000 0.349) 0.349 6.000 ( -0.000 0.000 -3.496) 3.496 6.000 ( 0.000 0.000 3.496) 3.496 6.210 ( 0.000 -0.000 -5.055) 5.055 6.210 ( 0.000 0.000 5.055) 5.055 6.228 ( 0.000 0.000 -4.575) 4.575 6.228 ( 0.000 0.000 4.575) 4.575 6.370 ( 0.000 0.000 -1.444) 1.444 6.370 ( 0.000 0.000 1.444) 1.444 6.480 ( 0.000 0.000 -4.963) 4.963 6.480 ( 0.000 0.000 4.963) 4.963 6.615 ( 0.000 0.000 -1.369) 1.369 6.615 ( 0.000 0.000 1.369) 1.369 6.657 ( 0.000 0.000 -1.534) 1.534 6.657 ( 0.000 0.000 1.534) 1.534 6.784 ( 0.000 0.000 -0.721) 0.721 6.784 ( 0.000 0.000 0.721) 0.721 6.863 ( 0.000 0.000 -3.945) 3.945 6.863 ( 0.000 0.000 3.945) 3.945 7.010 ( 0.000 0.000 -0.311) 0.311 7.010 ( 0.000 0.000 0.311) 0.311 7.097 ( 0.000 0.000 -4.586) 4.586 7.097 ( 0.000 0.000 4.586) 4.586 7.151 ( -0.000 0.000 -2.271) 2.271 7.151 ( 0.000 0.000 2.271) 2.271 7.217 ( 0.000 0.000 -4.634) 4.634 7.217 ( 0.000 0.000 4.634) 4.634 7.286 ( 0.000 0.000 -1.508) 1.508 7.286 ( 0.000 0.000 1.508) 1.508 7.416 ( 0.000 0.000 -3.938) 3.938 7.416 ( 0.000 0.000 3.938) 3.938 7.881 ( 0.000 0.000 -0.448) 0.448 7.881 ( 0.000 0.000 0.448) 0.448 7.952 ( 0.000 0.000 -2.543) 2.543 7.952 ( 0.000 0.000 2.543) 2.543 8.071 ( 0.000 0.000 -0.106) 0.106 8.071 ( 0.000 0.000 0.106) 0.106 8.205 ( 0.000 0.000 -2.070) 2.070 8.205 ( 0.000 0.000 2.070) 2.070 8.395 ( 0.000 0.000 -4.122) 4.122 8.395 ( 0.000 0.000 4.122) 4.122 8.426 ( 0.000 0.000 -9.799) 9.799 8.426 ( 0.000 0.000 9.799) 9.799 8.774 ( 0.000 0.000 -0.737) 0.737 8.774 ( 0.000 0.000 0.737) 0.737 8.992 ( 0.000 0.000 -1.007) 1.007 8.992 ( 0.000 0.000 1.007) 1.007 9.034 ( 0.000 0.000 -2.159) 2.159 9.034 ( 0.000 0.000 2.159) 2.159 9.388 ( 0.000 -0.000 -4.054) 4.054 9.388 ( 0.000 0.000 4.054) 4.054 9.549 ( 0.000 0.000 -0.025) 0.025 9.549 ( 0.000 0.000 0.025) 0.025 9.696 ( 0.000 0.000 -1.990) 1.990 9.696 ( 0.000 0.000 1.990) 1.990 9.859 ( 0.000 0.000 -0.726) 0.726 9.859 ( 0.000 0.000 0.726) 0.726 9.906 ( 0.000 -0.000 -2.660) 2.660 9.906 ( 0.000 0.000 2.660) 2.660 9.979 ( 0.000 0.000 -0.896) 0.896 9.979 ( 0.000 0.000 0.896) 0.896 10.135 ( -0.000 0.000 -3.584) 3.584 10.135 ( 0.000 0.000 3.584) 3.584 10.212 ( 0.000 -0.000 -4.189) 4.189 10.212 ( 0.000 -0.000 4.189) 4.189 10.572 ( 0.000 0.000 -1.274) 1.274 10.572 ( 0.000 0.000 1.274) 1.274 11.360 ( 0.000 0.000 -1.150) 1.150 11.360 ( 0.000 0.000 1.150) 1.150 11.440 ( 0.000 0.000 -1.082) 1.082 11.440 ( 0.000 0.000 1.082) 1.082 11.575 ( 0.000 0.000 -6.635) 6.635 11.575 ( 0.000 0.000 6.635) 6.635 12.961 ( 0.000 0.000 -0.927) 0.927 12.961 ( 0.000 0.000 0.927) 0.927 13.106 ( 0.000 0.000 -13.546) 13.546 13.106 ( 0.000 0.000 13.546) 13.546 13.207 ( 0.000 0.000 -2.952) 2.952 13.207 ( 0.000 0.000 2.952) 2.952 13.406 ( 0.000 0.000 -4.693) 4.693 13.406 ( 0.000 0.000 4.693) 4.693 13.714 ( 0.000 0.000 -1.580) 1.580 13.714 ( 0.000 0.000 1.580) 1.580 14.151 ( 0.000 0.000 -4.658) 4.658 14.151 ( 0.000 0.000 4.658) 4.658 14.398 ( 0.000 0.000 -4.177) 4.177 14.398 ( 0.000 0.000 4.177) 4.177 14.588 ( 0.000 0.000 -2.707) 2.707 14.588 ( 0.000 0.000 2.707) 2.707 14.665 ( 0.000 0.000 -9.589) 9.589 14.665 ( 0.000 0.000 9.589) 9.589 14.805 ( 0.000 0.000 -1.243) 1.243 14.805 ( 0.000 0.000 1.243) 1.243 14.853 ( 0.000 0.000 -0.652) 0.652 14.853 ( 0.000 0.000 0.652) 0.652 15.060 ( 0.000 0.000 -13.767) 13.767 15.060 ( 0.000 0.000 13.767) 13.767 15.327 ( 0.000 0.000 -2.168) 2.168 15.327 ( 0.000 0.000 2.168) 2.168 15.498 ( 0.000 0.000 -3.725) 3.725 15.498 ( 0.000 0.000 3.725) 3.725 15.590 ( 0.000 0.000 -1.832) 1.832 15.590 ( 0.000 0.000 1.832) 1.832 16.249 ( 0.000 0.000 -3.387) 3.387 16.249 ( 0.000 0.000 3.387) 3.387 16.285 ( 0.000 0.000 -1.968) 1.968 16.285 ( 0.000 0.000 1.968) 1.968 16.387 ( 0.000 0.000 -1.190) 1.190 16.387 ( 0.000 0.000 1.190) 1.190 20.529 ( 0.000 0.000 -2.780) 2.780 20.529 ( 0.000 0.000 2.780) 2.780 20.582 ( 0.000 0.000 -2.485) 2.485 20.582 ( 0.000 0.000 2.485) 2.485 21.063 ( 0.000 0.000 -2.379) 2.379 21.063 ( 0.000 0.000 2.379) 2.379 25.191 ( 0.000 0.000 -1.902) 1.902 25.191 ( 0.000 0.000 1.902) 1.902 25.297 ( 0.000 0.000 -1.131) 1.131 25.297 ( 0.000 0.000 1.131) 1.131 25.423 ( 0.000 0.000 -5.693) 5.693 25.423 ( 0.000 0.000 5.693) 5.693 27.020 ( 0.000 0.000 -2.285) 2.285 27.020 ( 0.000 0.000 2.285) 2.285 27.086 ( 0.000 0.000 -2.450) 2.450 27.086 ( 0.000 0.000 2.450) 2.450 27.216 ( 0.000 0.000 -1.404) 1.404 27.216 ( 0.000 0.000 1.404) 1.404 27.307 ( 0.000 0.000 -0.231) 0.231 27.307 ( 0.000 0.000 0.231) 0.231 27.391 ( 0.000 0.000 -1.350) 1.350 27.391 ( 0.000 0.000 1.350) 1.350 27.623 ( 0.000 0.000 -0.899) 0.899 27.623 ( 0.000 0.000 0.899) 0.899 27.743 ( 0.000 0.000 -0.594) 0.594 27.743 ( 0.000 0.000 0.594) 0.594 27.791 ( 0.000 0.000 -3.221) 3.221 27.791 ( 0.000 0.000 3.221) 3.221 27.830 ( -0.000 0.000 -0.103) 0.103 27.830 ( 0.000 0.000 0.103) 0.103 27.921 ( 0.000 0.000 -2.382) 2.382 27.921 ( 0.000 0.000 2.382) 2.382 27.952 ( -0.000 0.000 -0.460) 0.460 27.952 ( 0.000 0.000 0.460) 0.460 28.133 ( 0.000 0.000 -3.657) 3.657 28.133 ( 0.000 0.000 3.657) 3.657 28.224 ( 0.000 0.000 -3.381) 3.381 28.224 ( 0.000 0.000 3.381) 3.381 28.342 ( 0.000 0.000 -2.496) 2.496 28.342 ( 0.000 0.000 2.496) 2.496 28.408 ( 0.000 0.000 -2.161) 2.161 28.408 ( 0.000 0.000 2.161) 2.161 30.008 ( 0.000 0.000 -17.048) 17.048 30.008 ( 0.000 0.000 17.048) 17.048 30.261 ( 0.000 0.000 -6.490) 6.490 30.261 ( 0.000 0.000 6.490) 6.490 30.664 ( 0.000 0.000 -5.307) 5.307 30.664 ( 0.000 0.000 5.307) 5.307 ======================= Grid point 102 (21/24) ======================= q-point: ( 0.17 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 9.793 12.075 -9.641) 18.294 1.558 ( 9.793 12.075 9.641) 18.294 1.709 ( 3.482 10.419 -7.074) 13.066 1.709 ( 3.482 10.419 7.074) 13.066 1.965 ( 3.134 6.132 -8.005) 10.559 1.965 ( 3.134 6.132 8.005) 10.559 2.151 ( 2.691 5.314 -4.229) 7.305 2.151 ( 2.691 5.314 4.229) 7.305 2.224 ( -0.141 2.543 -6.197) 6.700 2.224 ( -0.141 2.543 6.197) 6.700 2.546 ( 11.101 8.978 -9.671) 17.244 2.546 ( 11.101 8.978 9.671) 17.244 2.669 ( 2.890 8.720 -6.463) 11.232 2.669 ( 2.890 8.720 6.463) 11.232 2.760 ( -0.446 -2.471 -4.688) 5.319 2.760 ( -0.446 -2.471 4.688) 5.319 2.863 ( -0.402 2.260 -3.266) 3.992 2.863 ( -0.402 2.260 3.266) 3.992 3.002 ( -3.749 2.690 -3.591) 5.847 3.002 ( -3.749 2.690 3.591) 5.847 3.159 ( 4.888 1.536 -6.082) 7.953 3.159 ( 4.888 1.536 6.082) 7.953 3.185 ( 0.658 0.481 -6.479) 6.531 3.185 ( 0.658 0.481 6.479) 6.531 3.344 ( 0.155 -1.164 -2.376) 2.651 3.344 ( 0.155 -1.164 2.376) 2.651 3.473 ( -1.050 0.189 -2.404) 2.630 3.473 ( -1.050 0.189 2.404) 2.630 3.663 ( 2.134 1.540 -3.476) 4.360 3.663 ( 2.134 1.540 3.476) 4.360 3.741 ( -0.325 -1.054 -4.935) 5.057 3.741 ( -0.325 -1.054 4.935) 5.057 3.827 ( 0.472 4.154 -5.593) 6.983 3.827 ( 0.472 4.154 5.593) 6.983 3.892 ( 0.921 -2.615 -1.438) 3.123 3.892 ( 0.921 -2.615 1.438) 3.123 3.990 ( -0.561 -1.263 -4.700) 4.899 3.990 ( -0.561 -1.263 4.700) 4.899 4.072 ( 0.402 -0.109 -2.703) 2.735 4.072 ( 0.402 -0.109 2.703) 2.735 4.143 ( -0.199 1.464 -2.584) 2.976 4.143 ( -0.199 1.464 2.584) 2.976 4.220 ( -0.723 -1.453 -2.625) 3.086 4.220 ( -0.723 -1.453 2.625) 3.086 4.328 ( -1.432 1.589 -1.044) 2.380 4.328 ( -1.432 1.589 1.044) 2.380 4.426 ( 0.965 3.049 -1.311) 3.456 4.426 ( 0.965 3.049 1.311) 3.456 4.496 ( 1.236 2.582 -3.284) 4.356 4.496 ( 1.236 2.582 3.284) 4.356 4.632 ( 1.695 -1.124 -3.290) 3.868 4.632 ( 1.695 -1.124 3.290) 3.868 4.730 ( -1.053 1.186 -1.449) 2.149 4.730 ( -1.053 1.186 1.449) 2.149 4.859 ( -0.043 -4.002 -2.736) 4.848 4.859 ( -0.043 -4.002 2.736) 4.848 4.918 ( -0.434 -1.430 -3.440) 3.750 4.918 ( -0.434 -1.430 3.440) 3.750 4.974 ( 0.898 -0.280 -2.461) 2.635 4.974 ( 0.898 -0.280 2.461) 2.635 5.048 ( -1.305 0.491 -2.363) 2.744 5.048 ( -1.305 0.491 2.363) 2.744 5.187 ( -1.607 -1.334 -4.549) 5.006 5.187 ( -1.607 -1.334 4.549) 5.006 5.220 ( 0.241 1.452 -3.903) 4.171 5.220 ( 0.241 1.452 3.903) 4.171 5.380 ( -3.370 -6.796 -3.989) 8.570 5.380 ( -3.370 -6.796 3.989) 8.570 5.529 ( -1.693 1.126 -4.526) 4.962 5.529 ( -1.693 1.126 4.526) 4.962 5.594 ( 0.172 -2.426 -2.839) 3.738 5.594 ( 0.172 -2.426 2.839) 3.738 5.772 ( -6.874 -7.315 -3.169) 10.527 5.772 ( -6.874 -7.315 3.169) 10.527 5.914 ( -1.392 -11.056 -2.465) 11.412 5.914 ( -1.392 -11.056 2.465) 11.412 5.985 ( -3.679 -7.058 -1.589) 8.117 5.985 ( -3.679 -7.058 1.589) 8.117 6.088 ( -6.146 -6.505 -1.528) 9.079 6.088 ( -6.146 -6.505 1.528) 9.079 6.228 ( -0.542 -3.395 -1.129) 3.619 6.228 ( -0.542 -3.395 1.129) 3.619 6.297 ( -3.130 -4.071 -4.842) 7.058 6.297 ( -3.130 -4.071 4.842) 7.058 6.403 ( 1.378 -1.930 -0.532) 2.430 6.403 ( 1.378 -1.930 0.532) 2.430 6.506 ( 2.076 1.587 -3.325) 4.229 6.506 ( 2.076 1.587 3.325) 4.229 6.619 ( -0.761 0.972 -4.712) 4.871 6.619 ( -0.761 0.972 4.712) 4.871 6.704 ( 3.767 -1.130 -1.763) 4.310 6.704 ( 3.767 -1.130 1.763) 4.310 6.761 ( -3.921 4.721 -1.486) 6.315 6.761 ( -3.921 4.721 1.486) 6.315 6.928 ( -3.128 -0.593 -3.110) 4.451 6.928 ( -3.128 -0.593 3.110) 4.451 6.976 ( -0.616 -4.885 -1.971) 5.304 6.976 ( -0.616 -4.885 1.971) 5.304 7.106 ( -0.054 2.289 -0.784) 2.421 7.106 ( -0.054 2.289 0.784) 2.421 7.231 ( -0.698 -0.668 -1.336) 1.649 7.231 ( -0.698 -0.668 1.336) 1.649 7.258 ( 0.588 -1.881 -1.543) 2.503 7.258 ( 0.588 -1.881 1.543) 2.503 7.323 ( -3.265 -5.281 -1.703) 6.438 7.323 ( -3.265 -5.281 1.703) 6.438 7.458 ( 0.091 -1.233 -3.412) 3.629 7.458 ( 0.091 -1.233 3.412) 3.629 7.824 ( -0.943 2.165 -1.013) 2.569 7.824 ( -0.943 2.165 1.013) 2.569 7.958 ( 5.489 1.037 -2.375) 6.070 7.958 ( 5.489 1.037 2.375) 6.070 8.062 ( 0.299 2.402 -2.309) 3.345 8.062 ( 0.299 2.402 2.309) 3.345 8.085 ( 1.309 4.042 -6.977) 8.169 8.085 ( 1.309 4.042 6.977) 8.169 8.283 ( 0.195 4.918 -2.561) 5.548 8.283 ( 0.195 4.918 2.561) 5.548 8.420 ( 1.441 -1.031 -4.982) 5.288 8.420 ( 1.441 -1.031 4.982) 5.288 8.767 ( -0.578 -0.426 -1.889) 2.021 8.767 ( -0.578 -0.426 1.889) 2.021 8.969 ( 2.542 3.255 -3.024) 5.119 8.969 ( 2.542 3.255 3.024) 5.119 9.103 ( -1.408 -1.780 -2.441) 3.333 9.103 ( -1.408 -1.780 2.441) 3.333 9.375 ( 0.452 0.898 -5.373) 5.466 9.375 ( 0.452 0.898 5.373) 5.466 9.447 ( 3.255 5.447 -3.835) 7.414 9.447 ( 3.255 5.447 3.835) 7.414 9.717 ( -1.623 -1.985 -3.994) 4.747 9.717 ( -1.623 -1.985 3.994) 4.747 9.851 ( 0.222 -0.450 -4.645) 4.672 9.851 ( 0.222 -0.450 4.645) 4.672 9.934 ( 0.594 0.432 -2.026) 2.155 9.934 ( 0.594 0.432 2.026) 2.155 10.036 ( -1.558 -2.214 -1.543) 3.116 10.036 ( -1.558 -2.214 1.543) 3.116 10.098 ( -1.019 -1.412 -1.776) 2.488 10.098 ( -1.019 -1.412 1.776) 2.488 10.274 ( 0.140 -0.198 -5.329) 5.335 10.274 ( 0.140 -0.198 5.329) 5.335 10.562 ( -0.715 -1.001 -4.390) 4.559 10.562 ( -0.715 -1.001 4.390) 4.559 11.336 ( 1.807 1.811 -6.746) 7.214 11.336 ( 1.807 1.811 6.746) 7.214 11.354 ( 0.860 2.896 -6.259) 6.950 11.354 ( 0.860 2.896 6.259) 6.950 11.690 ( -3.088 -5.401 -8.926) 10.880 11.690 ( -3.088 -5.401 8.926) 10.880 12.983 ( -0.689 -1.139 -7.089) 7.213 12.983 ( -0.689 -1.139 7.089) 7.213 13.069 ( 1.123 1.836 -12.379) 12.565 13.069 ( 1.123 1.836 12.379) 12.565 13.246 ( -1.345 -2.324 -5.878) 6.462 13.246 ( -1.345 -2.324 5.878) 6.462 13.483 ( -2.320 -4.073 -3.634) 5.932 13.483 ( -2.320 -4.073 3.634) 5.932 13.689 ( -0.097 0.071 -2.115) 2.118 13.689 ( -0.097 0.071 2.115) 2.118 14.124 ( 1.396 2.406 -3.498) 4.469 14.124 ( 1.396 2.406 3.498) 4.469 14.450 ( -1.305 -2.005 -3.626) 4.344 14.450 ( -1.305 -2.005 3.626) 4.344 14.558 ( 1.002 0.281 -2.357) 2.577 14.558 ( 1.002 0.281 2.357) 2.577 14.648 ( 1.245 3.086 -8.749) 9.360 14.648 ( 1.245 3.086 8.749) 9.360 14.712 ( 0.038 0.712 -9.792) 9.818 14.712 ( 0.038 0.712 9.792) 9.818 14.838 ( 1.835 2.764 -2.639) 4.240 14.838 ( 1.835 2.764 2.639) 4.240 15.208 ( -4.731 -7.676 -12.648) 15.534 15.208 ( -4.731 -7.676 12.648) 15.534 15.353 ( -0.055 1.470 -1.730) 2.271 15.353 ( -0.055 1.470 1.730) 2.271 15.468 ( 2.293 0.465 -2.744) 3.607 15.468 ( 2.293 0.465 2.744) 3.607 15.584 ( -2.041 -2.072 -2.759) 4.009 15.584 ( -2.041 -2.072 2.759) 4.009 16.238 ( 0.775 1.205 -3.944) 4.196 16.238 ( 0.775 1.205 3.944) 4.196 16.260 ( 0.806 1.330 -4.260) 4.535 16.260 ( 0.806 1.330 4.260) 4.535 16.389 ( -0.203 -0.281 -0.451) 0.568 16.389 ( -0.203 -0.281 0.451) 0.568 20.546 ( -0.576 -1.039 -2.457) 2.729 20.546 ( -0.576 -1.039 2.457) 2.729 20.583 ( -0.106 -0.164 -1.576) 1.589 20.583 ( -0.106 -0.164 1.576) 1.589 21.051 ( 0.367 0.659 -1.758) 1.913 21.051 ( 0.367 0.659 1.758) 1.913 25.190 ( -0.001 -0.022 -4.787) 4.787 25.190 ( -0.001 -0.022 4.787) 4.787 25.245 ( 1.208 2.105 -4.119) 4.780 25.245 ( 1.208 2.105 4.119) 4.780 25.573 ( -5.345 -9.249 -8.665) 13.755 25.573 ( -5.345 -9.249 8.665) 13.755 26.998 ( 0.522 1.041 -2.807) 3.039 26.998 ( 0.522 1.041 2.807) 3.039 27.077 ( 0.186 0.223 -3.701) 3.712 27.077 ( 0.186 0.223 3.701) 3.712 27.257 ( -1.370 -2.231 -1.147) 2.858 27.257 ( -1.370 -2.231 1.147) 2.858 27.301 ( 0.496 -0.078 -2.333) 2.386 27.301 ( 0.496 -0.078 2.333) 2.386 27.457 ( -0.881 2.311 -3.034) 3.914 27.457 ( -0.881 2.311 3.034) 3.914 27.517 ( 2.025 -0.310 -0.382) 2.083 27.517 ( 2.025 -0.310 0.382) 2.083 27.680 ( 1.505 2.982 -2.501) 4.173 27.680 ( 1.505 2.982 2.501) 4.173 27.764 ( 0.095 -0.334 -1.115) 1.167 27.764 ( 0.095 -0.334 1.115) 1.167 27.837 ( 0.710 1.732 -0.885) 2.070 27.837 ( 0.710 1.732 0.885) 2.070 27.930 ( -0.678 1.383 -1.796) 2.366 27.930 ( -0.678 1.383 1.796) 2.366 28.028 ( 2.708 0.235 -3.008) 4.054 28.028 ( 2.708 0.235 3.008) 4.054 28.090 ( -1.403 1.891 -2.454) 3.401 28.090 ( -1.403 1.891 2.454) 3.401 28.145 ( 2.856 2.522 -1.055) 3.954 28.145 ( 2.856 2.522 1.055) 3.954 28.307 ( 0.682 -0.309 -4.207) 4.273 28.307 ( 0.682 -0.309 4.207) 4.273 28.357 ( 1.296 4.214 -3.030) 5.350 28.357 ( 1.296 4.214 3.030) 5.350 29.950 ( 1.982 3.289 -15.932) 16.388 29.950 ( 1.982 3.289 15.932) 16.388 30.349 ( -2.832 -4.856 -7.961) 9.746 30.349 ( -2.832 -4.856 7.961) 9.746 30.757 ( -2.951 -5.124 -6.730) 8.959 30.757 ( -2.951 -5.124 6.730) 8.959 ======================= Grid point 104 (22/24) ======================= q-point: ( 0.33 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( -0.738 -0.798 -4.369) 4.502 1.645 ( -0.738 -0.798 4.369) 4.502 1.915 ( 2.062 10.553 -3.191) 11.216 1.915 ( 2.062 10.553 3.191) 11.216 2.063 ( 2.707 1.463 -6.223) 6.942 2.063 ( 2.707 1.463 6.223) 6.942 2.228 ( -0.202 1.063 -4.875) 4.994 2.228 ( -0.202 1.063 4.875) 4.994 2.335 ( 8.659 7.317 -3.509) 11.867 2.335 ( 8.659 7.317 3.509) 11.867 2.606 ( -5.544 -4.297 -4.607) 8.392 2.606 ( -5.544 -4.297 4.607) 8.392 2.723 ( -1.891 0.209 -2.400) 3.063 2.723 ( -1.891 0.209 2.400) 3.063 2.807 ( 1.380 1.688 -2.799) 3.548 2.807 ( 1.380 1.688 2.799) 3.548 2.899 ( 0.751 2.708 -2.318) 3.643 2.899 ( 0.751 2.708 2.318) 3.643 3.112 ( 0.800 9.647 -1.324) 9.771 3.112 ( 0.800 9.647 1.324) 9.771 3.174 ( 2.117 0.454 -3.719) 4.303 3.174 ( 2.117 0.454 3.719) 4.303 3.275 ( 3.110 3.857 -4.106) 6.435 3.275 ( 3.110 3.857 4.106) 6.435 3.385 ( 3.795 1.631 -3.803) 5.615 3.385 ( 3.795 1.631 3.803) 5.615 3.462 ( -0.410 3.478 -3.539) 4.979 3.462 ( -0.410 3.478 3.539) 4.979 3.699 ( -0.804 -0.866 -4.042) 4.211 3.699 ( -0.804 -0.866 4.042) 4.211 3.785 ( 0.559 1.145 -4.464) 4.642 3.785 ( 0.559 1.145 4.464) 4.642 3.863 ( 2.146 0.906 -2.413) 3.354 3.863 ( 2.146 0.906 2.413) 3.354 3.936 ( 4.721 1.339 -3.363) 5.949 3.936 ( 4.721 1.339 3.363) 5.949 4.001 ( 2.311 -0.343 -3.017) 3.816 4.001 ( 2.311 -0.343 3.017) 3.816 4.079 ( -0.090 0.935 -2.337) 2.519 4.079 ( -0.090 0.935 2.337) 2.519 4.154 ( 1.435 -0.858 -2.191) 2.756 4.154 ( 1.435 -0.857 2.191) 2.756 4.202 ( 1.399 -1.982 -2.078) 3.194 4.202 ( 1.399 -1.982 2.078) 3.194 4.315 ( -2.097 -4.254 -2.249) 5.249 4.315 ( -2.097 -4.254 2.249) 5.249 4.401 ( -3.773 -2.064 -2.392) 4.921 4.401 ( -3.773 -2.064 2.392) 4.921 4.457 ( -2.895 -2.603 -1.858) 4.314 4.457 ( -2.895 -2.603 1.858) 4.314 4.556 ( -1.623 -3.270 -0.805) 3.738 4.556 ( -1.623 -3.270 0.805) 3.738 4.702 ( -2.821 2.447 -3.628) 5.206 4.702 ( -2.821 2.447 3.628) 5.206 4.797 ( -1.428 -2.670 -1.775) 3.510 4.797 ( -1.428 -2.670 1.775) 3.510 4.936 ( 0.389 1.957 -2.299) 3.044 4.936 ( 0.389 1.957 2.299) 3.044 5.010 ( -1.227 1.290 -2.717) 3.248 5.010 ( -1.227 1.290 2.717) 3.248 5.048 ( 1.236 2.088 -2.246) 3.306 5.048 ( 1.236 2.088 2.246) 3.306 5.154 ( -0.845 -1.325 -2.634) 3.067 5.154 ( -0.845 -1.325 2.634) 3.067 5.200 ( 2.039 -1.567 -4.995) 5.618 5.200 ( 2.039 -1.567 4.995) 5.618 5.297 ( -1.229 -3.984 -1.865) 4.567 5.297 ( -1.229 -3.984 1.865) 4.567 5.442 ( -4.161 -4.939 -1.882) 6.727 5.442 ( -4.161 -4.939 1.882) 6.727 5.532 ( -1.736 -0.803 -2.478) 3.131 5.532 ( -1.736 -0.803 2.478) 3.131 5.669 ( -1.122 -5.316 -3.194) 6.303 5.669 ( -1.122 -5.316 3.194) 6.303 5.809 ( 0.776 0.300 -2.309) 2.454 5.809 ( 0.776 0.300 2.309) 2.454 5.939 ( 1.342 -4.079 -2.084) 4.773 5.939 ( 1.342 -4.079 2.084) 4.773 5.992 ( -0.204 -2.141 -1.108) 2.419 5.992 ( -0.204 -2.141 1.108) 2.419 6.184 ( -1.364 -3.460 -2.961) 4.754 6.184 ( -1.364 -3.460 2.961) 4.754 6.211 ( -0.807 -3.765 -4.591) 5.992 6.211 ( -0.807 -3.765 4.591) 5.992 6.397 ( 0.634 -2.415 -1.821) 3.090 6.397 ( 0.634 -2.415 1.821) 3.090 6.561 ( -2.788 5.245 -3.684) 6.990 6.561 ( -2.788 5.245 3.684) 6.990 6.629 ( 1.565 3.400 -3.146) 4.890 6.629 ( 1.565 3.400 3.146) 4.890 6.679 ( -3.807 3.662 -3.780) 6.495 6.679 ( -3.807 3.662 3.780) 6.495 6.807 ( 1.452 2.330 -1.812) 3.289 6.807 ( 1.452 2.330 1.812) 3.289 6.854 ( -2.517 -0.329 -0.974) 2.719 6.854 ( -2.517 -0.329 0.974) 2.719 6.949 ( 2.232 -3.055 -1.435) 4.047 6.949 ( 2.232 -3.055 1.435) 4.047 7.124 ( -0.170 0.749 -2.240) 2.368 7.124 ( -0.170 0.749 2.240) 2.368 7.153 ( -2.445 -3.682 -1.842) 4.788 7.153 ( -2.445 -3.682 1.842) 4.788 7.216 ( -0.128 -2.937 -2.112) 3.620 7.216 ( -0.128 -2.937 2.112) 3.620 7.303 ( -0.906 0.857 -1.122) 1.678 7.303 ( -0.906 0.857 1.122) 1.678 7.433 ( -0.932 -0.537 -2.295) 2.535 7.433 ( -0.932 -0.537 2.295) 2.535 7.874 ( 0.855 4.872 -1.013) 5.049 7.874 ( 0.855 4.872 1.013) 5.049 8.022 ( -2.170 2.823 -3.310) 4.861 8.022 ( -2.170 2.823 3.310) 4.861 8.060 ( 0.533 -0.577 -0.680) 1.039 8.060 ( 0.533 -0.577 0.680) 1.039 8.163 ( 3.786 0.851 -5.939) 7.094 8.163 ( 3.786 0.851 5.939) 7.094 8.348 ( 4.199 -0.804 -2.266) 4.838 8.348 ( 4.199 -0.804 2.266) 4.838 8.406 ( -1.243 -2.166 -3.319) 4.154 8.406 ( -1.243 -2.166 3.319) 4.154 8.770 ( 0.436 -0.161 -0.681) 0.825 8.770 ( 0.436 -0.161 0.681) 0.825 9.009 ( -0.379 1.016 -1.489) 1.842 9.009 ( -0.379 1.016 1.489) 1.842 9.049 ( -1.514 -0.692 -3.917) 4.256 9.049 ( -1.514 -0.692 3.917) 4.256 9.384 ( 0.114 0.119 -4.015) 4.019 9.384 ( 0.114 0.119 4.015) 4.019 9.540 ( 1.638 1.700 -0.345) 2.386 9.540 ( 1.638 1.700 0.345) 2.386 9.710 ( 0.877 3.110 -2.460) 4.062 9.710 ( 0.877 3.110 2.460) 4.062 9.849 ( -0.577 -2.585 -4.318) 5.066 9.849 ( -0.577 -2.585 4.318) 5.066 9.899 ( -1.421 -2.527 -4.188) 5.093 9.899 ( -1.421 -2.527 4.188) 5.093 9.981 ( -1.114 -2.067 -0.594) 2.422 9.981 ( -1.114 -2.067 0.594) 2.422 10.059 ( 1.462 -3.464 -5.591) 6.737 10.059 ( 1.462 -3.464 5.591) 6.737 10.305 ( -1.502 5.521 -3.230) 6.570 10.305 ( -1.502 5.521 3.230) 6.570 10.556 ( 0.697 -0.948 -2.296) 2.580 10.556 ( 0.697 -0.948 2.296) 2.580 11.373 ( -0.212 1.700 -2.936) 3.400 11.373 ( -0.212 1.700 2.936) 3.400 11.409 ( 2.740 0.971 -5.331) 6.072 11.409 ( 2.740 0.971 5.331) 6.072 11.590 ( -2.528 -2.854 -7.572) 8.478 11.590 ( -2.528 -2.854 7.572) 8.478 12.963 ( -0.381 -0.428 -3.484) 3.530 12.963 ( -0.381 -0.428 3.484) 3.530 13.108 ( 0.796 1.561 -13.376) 13.490 13.108 ( 0.796 1.561 13.376) 13.490 13.204 ( -0.727 -1.711 -3.624) 4.073 13.204 ( -0.727 -1.711 3.624) 4.073 13.423 ( -1.499 -0.448 -3.325) 3.675 13.423 ( -1.499 -0.448 3.325) 3.675 13.684 ( 0.910 -1.983 -1.682) 2.755 13.684 ( 0.910 -1.983 1.682) 2.755 14.165 ( 0.236 2.023 -4.824) 5.236 14.165 ( 0.236 2.023 4.824) 5.236 14.411 ( -1.222 -0.398 -1.841) 2.246 14.411 ( -1.222 -0.398 1.841) 2.246 14.556 ( 0.776 -2.636 -4.120) 4.953 14.556 ( 0.776 -2.636 4.120) 4.953 14.690 ( -0.400 2.435 -7.766) 8.148 14.690 ( -0.400 2.435 7.766) 8.148 14.777 ( 3.783 3.803 -5.318) 7.554 14.777 ( 3.783 3.803 5.318) 7.554 14.878 ( -0.497 1.317 -2.360) 2.747 14.878 ( -0.497 1.317 2.360) 2.747 15.048 ( -3.062 -6.452 -14.466) 16.133 15.048 ( -3.062 -6.452 14.466) 16.133 15.369 ( -1.291 3.816 -1.164) 4.193 15.369 ( -1.291 3.816 1.164) 4.193 15.504 ( 0.438 -0.639 -3.055) 3.152 15.504 ( 0.438 -0.639 3.055) 3.152 15.557 ( 1.097 -1.306 -1.433) 2.227 15.557 ( 1.097 -1.306 1.433) 2.227 16.252 ( 0.025 0.269 -5.429) 5.436 16.252 ( 0.025 0.269 5.429) 5.436 16.285 ( 0.453 0.843 -2.674) 2.840 16.285 ( 0.453 0.843 2.674) 2.840 16.385 ( 0.039 -0.227 -0.873) 0.903 16.385 ( 0.039 -0.227 0.873) 0.903 20.529 ( -0.286 -0.475 -2.868) 2.921 20.529 ( -0.286 -0.475 2.868) 2.921 20.580 ( 0.016 -0.168 -1.562) 1.571 20.580 ( 0.016 -0.168 1.562) 1.571 21.064 ( 0.206 0.448 -1.572) 1.647 21.064 ( 0.206 0.448 1.572) 1.647 25.188 ( 0.037 -0.270 -6.183) 6.189 25.188 ( 0.037 -0.270 6.183) 6.189 25.294 ( 1.394 2.189 -4.831) 5.484 25.294 ( 1.394 2.189 4.831) 5.484 25.430 ( -2.773 -3.927 -6.150) 7.806 25.430 ( -2.773 -3.927 6.150) 7.806 27.014 ( 0.457 0.207 -1.453) 1.537 27.014 ( 0.457 0.207 1.453) 1.537 27.082 ( 0.215 -0.062 -5.615) 5.619 27.082 ( 0.215 -0.062 5.615) 5.619 27.211 ( -0.663 -2.053 -0.851) 2.320 27.211 ( -0.663 -2.053 0.851) 2.320 27.322 ( 0.199 2.026 -1.515) 2.538 27.322 ( 0.199 2.026 1.515) 2.538 27.435 ( -3.037 2.786 -1.276) 4.314 27.435 ( -3.037 2.786 1.276) 4.314 27.565 ( 3.529 -3.332 -3.290) 5.863 27.565 ( 3.529 -3.332 3.290) 5.863 27.737 ( 2.037 0.942 -3.144) 3.863 27.737 ( 2.037 0.942 3.144) 3.863 27.767 ( 0.664 1.097 -0.811) 1.518 27.767 ( 0.664 1.097 0.811) 1.518 27.849 ( -0.883 -1.113 -1.565) 2.113 27.849 ( -0.883 -1.113 1.565) 2.113 27.917 ( -0.904 1.871 -2.456) 3.217 27.917 ( -0.904 1.871 2.456) 3.217 28.018 ( -3.180 0.695 -1.094) 3.434 28.018 ( -3.180 0.695 1.094) 3.434 28.094 ( 2.343 -0.760 -3.439) 4.230 28.094 ( 2.343 -0.760 3.439) 4.230 28.242 ( 0.141 0.783 -1.192) 1.433 28.242 ( 0.141 0.783 1.192) 1.433 28.301 ( 2.354 0.143 -2.207) 3.230 28.301 ( 2.354 0.143 2.207) 3.230 28.428 ( 0.600 3.288 -1.828) 3.810 28.428 ( 0.600 3.288 1.828) 3.810 29.997 ( 0.951 0.312 -17.008) 17.037 29.997 ( 0.951 0.312 17.008) 17.037 30.270 ( -1.490 -1.496 -6.150) 6.503 30.270 ( -1.490 -1.496 6.150) 6.503 30.664 ( -1.743 -2.981 -5.002) 6.078 30.664 ( -1.743 -2.981 5.002) 6.078 ======================= Grid point 106 (23/24) ======================= q-point: (-0.50 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( -0.312 0.561 -5.799) 5.835 1.633 ( -0.312 0.561 5.799) 5.835 1.924 ( -9.596 3.513 -3.374) 10.762 1.924 ( -9.596 3.513 3.374) 10.762 2.074 ( -1.553 -1.946 -10.664) 10.951 2.074 ( -1.553 -1.946 10.664) 10.951 2.224 ( -1.301 0.827 -4.516) 4.771 2.224 ( -1.301 0.827 4.516) 4.771 2.339 ( -8.303 -4.841 -3.891) 10.369 2.339 ( -8.303 -4.841 3.891) 10.369 2.609 ( 2.819 3.326 -3.752) 5.752 2.609 ( 2.819 3.326 3.752) 5.752 2.677 ( -2.117 2.644 -3.981) 5.227 2.677 ( -2.117 2.644 3.981) 5.227 2.822 ( 0.603 -0.817 -2.016) 2.257 2.822 ( 0.603 -0.817 2.016) 2.257 2.911 ( -1.983 1.167 -2.052) 3.083 2.911 ( -1.983 1.167 2.052) 3.083 3.124 ( 0.806 0.022 -7.717) 7.759 3.124 ( 0.806 0.022 7.717) 7.759 3.178 ( -7.575 3.752 -3.296) 9.073 3.178 ( -7.575 3.752 3.296) 9.073 3.296 ( -8.812 -4.314 -6.147) 11.578 3.296 ( -8.812 -4.314 6.147) 11.578 3.396 ( -4.229 -2.002 -2.788) 5.447 3.396 ( -4.229 -2.002 2.788) 5.447 3.442 ( 0.105 1.494 -5.851) 6.040 3.442 ( 0.105 1.494 5.851) 6.040 3.672 ( -1.206 3.871 -1.566) 4.346 3.672 ( -1.206 3.871 1.566) 4.346 3.794 ( -0.755 -0.992 -2.143) 2.479 3.794 ( -0.755 -0.992 2.143) 2.479 3.824 ( -1.905 -2.241 -1.434) 3.271 3.824 ( -1.905 -2.241 1.434) 3.271 3.933 ( -2.938 -2.172 -5.228) 6.379 3.933 ( -2.938 -2.172 5.228) 6.379 4.003 ( -2.113 -2.656 -2.269) 4.083 4.003 ( -2.113 -2.656 2.269) 4.083 4.095 ( -1.439 0.918 -3.160) 3.591 4.095 ( -1.439 0.918 3.160) 3.591 4.139 ( 2.674 -1.911 -2.393) 4.066 4.139 ( 2.674 -1.911 2.393) 4.066 4.210 ( 0.598 -1.218 -3.127) 3.408 4.210 ( 0.598 -1.218 3.127) 3.408 4.319 ( 6.498 -0.798 -2.466) 6.995 4.319 ( 6.498 -0.798 2.466) 6.995 4.442 ( 5.111 -0.124 -1.988) 5.485 4.442 ( 5.111 -0.124 1.988) 5.485 4.469 ( 3.470 1.681 -2.457) 4.572 4.469 ( 3.470 1.681 2.457) 4.572 4.549 ( 0.148 -0.646 -1.489) 1.630 4.549 ( 0.148 -0.646 1.489) 1.630 4.697 ( 1.633 3.238 -3.865) 5.300 4.697 ( 1.633 3.238 3.865) 5.300 4.825 ( 2.885 2.248 -3.032) 4.751 4.825 ( 2.885 2.248 3.032) 4.751 4.909 ( -3.920 -1.638 -3.689) 5.627 4.909 ( -3.920 -1.638 3.689) 5.627 4.967 ( -0.209 2.874 -3.666) 4.663 4.967 ( -0.209 2.874 3.666) 4.663 5.042 ( -1.314 0.439 -2.460) 2.823 5.042 ( -1.314 0.439 2.460) 2.823 5.149 ( 0.807 -1.093 -2.699) 3.022 5.149 ( 0.807 -1.093 2.699) 3.022 5.244 ( 1.745 -2.856 -2.367) 4.099 5.244 ( 1.745 -2.856 2.367) 4.099 5.305 ( 1.978 0.320 -2.280) 3.035 5.305 ( 1.978 0.320 2.280) 3.035 5.445 ( 8.905 0.270 -4.271) 9.880 5.445 ( 8.905 0.270 4.271) 9.880 5.558 ( 2.812 1.780 -2.846) 4.379 5.558 ( 2.812 1.780 2.846) 4.379 5.634 ( 2.549 -1.759 -1.936) 3.652 5.634 ( 2.549 -1.759 1.936) 3.652 5.816 ( -0.324 -0.475 -1.763) 1.854 5.816 ( -0.324 -0.475 1.763) 1.854 5.922 ( 1.924 -3.687 -2.039) 4.632 5.922 ( 1.924 -3.687 2.039) 4.632 5.996 ( 2.202 -0.492 -4.246) 4.808 5.996 ( 2.202 -0.492 4.246) 4.808 6.156 ( 2.581 0.024 -2.001) 3.266 6.156 ( 2.581 0.024 2.001) 3.266 6.219 ( 3.344 -0.494 -2.996) 4.517 6.219 ( 3.344 -0.494 2.996) 4.517 6.381 ( 0.154 -0.797 -1.514) 1.718 6.381 ( 0.154 -0.797 1.514) 1.718 6.551 ( -3.721 3.615 -3.861) 6.467 6.551 ( -3.721 3.615 3.861) 6.467 6.635 ( -0.908 0.116 -3.669) 3.782 6.635 ( -0.908 0.116 3.669) 3.782 6.696 ( -2.533 4.716 -4.208) 6.809 6.696 ( -2.533 4.716 4.208) 6.809 6.809 ( -0.299 0.750 -2.268) 2.407 6.809 ( -0.299 0.750 2.268) 2.407 6.886 ( 2.064 1.783 -1.761) 3.247 6.886 ( 2.064 1.783 1.761) 3.247 6.975 ( 1.357 -6.154 -0.478) 6.320 6.975 ( 1.357 -6.154 0.478) 6.320 7.097 ( 3.719 1.821 -2.621) 4.901 7.097 ( 3.719 1.821 2.621) 4.901 7.152 ( 0.245 0.254 -1.752) 1.788 7.152 ( 0.245 0.254 1.752) 1.788 7.216 ( 2.651 -0.414 -4.965) 5.644 7.216 ( 2.651 -0.414 4.965) 5.644 7.291 ( -1.286 1.348 -2.583) 3.185 7.291 ( -1.286 1.348 2.583) 3.185 7.431 ( 0.780 0.420 -3.753) 3.856 7.431 ( 0.780 0.420 3.753) 3.856 7.896 ( -3.369 1.076 -1.553) 3.862 7.896 ( -3.369 1.076 1.553) 3.862 7.983 ( -3.487 2.424 -3.861) 5.739 7.983 ( -3.487 2.424 3.861) 5.739 8.065 ( 0.185 0.612 -0.768) 1.000 8.065 ( 0.185 0.612 0.768) 1.000 8.183 ( -1.720 -2.826 -2.475) 4.131 8.183 ( -1.720 -2.826 2.475) 4.131 8.349 ( 0.473 -4.255 -4.156) 5.967 8.349 ( 0.473 -4.255 4.156) 5.967 8.404 ( 0.935 0.067 -4.927) 5.016 8.404 ( 0.935 0.067 4.927) 5.016 8.767 ( -0.150 -0.327 -0.975) 1.040 8.767 ( -0.150 -0.327 0.975) 1.040 9.001 ( -1.111 1.148 -1.760) 2.377 9.001 ( -1.111 1.148 1.760) 2.377 9.056 ( 1.634 0.686 -3.200) 3.658 9.056 ( 1.634 0.686 3.200) 3.658 9.385 ( -0.091 -0.035 -2.820) 2.822 9.385 ( -0.091 -0.035 2.820) 2.822 9.542 ( -2.313 -0.684 -0.835) 2.552 9.542 ( -2.313 -0.684 0.835) 2.552 9.712 ( -3.005 0.941 -3.996) 5.088 9.712 ( -3.005 0.941 3.996) 5.088 9.836 ( 2.440 -0.689 -4.885) 5.503 9.836 ( 2.440 -0.689 4.885) 5.503 9.915 ( 2.737 -0.241 -4.034) 4.881 9.915 ( 2.737 -0.241 4.034) 4.881 9.968 ( 2.184 -0.143 -1.147) 2.471 9.968 ( 2.184 -0.143 1.147) 2.471 10.066 ( 2.635 -2.912 -3.378) 5.181 10.066 ( 2.635 -2.912 3.378) 5.181 10.302 ( -4.254 4.134 -5.470) 8.069 10.302 ( -4.254 4.134 5.470) 8.069 10.558 ( 0.585 -1.097 -2.027) 2.378 10.558 ( 0.585 -1.097 2.027) 2.378 11.367 ( -1.737 0.818 -2.152) 2.884 11.367 ( -1.737 0.818 2.152) 2.884 11.417 ( -1.806 -1.737 -4.220) 4.907 11.417 ( -1.806 -1.737 4.220) 4.907 11.589 ( 3.719 0.821 -7.405) 8.327 11.589 ( 3.719 0.821 7.405) 8.327 12.963 ( 0.582 0.109 -1.648) 1.751 12.963 ( 0.582 0.109 1.648) 1.751 13.107 ( -1.800 0.117 -11.937) 12.072 13.107 ( -1.800 0.117 11.937) 12.072 13.204 ( 1.846 -0.232 -2.841) 3.396 13.204 ( 1.846 -0.232 2.841) 3.396 13.423 ( 1.140 1.065 -3.679) 3.996 13.423 ( 1.140 1.065 3.679) 3.996 13.685 ( 1.354 -1.809 -1.628) 2.785 13.685 ( 1.354 -1.809 1.628) 2.785 14.165 ( -1.873 0.810 -4.833) 5.247 14.165 ( -1.873 0.810 4.833) 5.247 14.412 ( 1.021 0.866 -3.044) 3.325 14.412 ( 1.021 0.866 3.044) 3.325 14.550 ( 1.359 -1.788 -4.992) 5.474 14.550 ( 1.359 -1.788 4.992) 5.474 14.689 ( -1.719 1.358 -9.617) 9.863 14.689 ( -1.719 1.358 9.617) 9.863 14.787 ( -4.919 -1.674 -6.870) 8.614 14.787 ( -4.919 -1.674 6.870) 8.614 14.873 ( -0.858 1.380 -2.100) 2.655 14.873 ( -0.858 1.380 2.100) 2.655 15.051 ( 7.336 -0.662 -14.411) 16.185 15.051 ( 7.336 -0.662 14.411) 16.185 15.377 ( -2.332 3.418 -3.146) 5.198 15.377 ( -2.332 3.418 3.146) 5.198 15.477 ( -0.944 -1.094 -4.739) 4.955 15.477 ( -0.944 -1.094 4.739) 4.955 15.573 ( 1.297 -1.506 -2.578) 3.255 15.573 ( 1.297 -1.506 2.578) 3.255 16.251 ( -0.334 0.150 -4.992) 5.005 16.251 ( -0.334 0.150 4.992) 5.005 16.285 ( -0.967 0.027 -1.545) 1.823 16.285 ( -0.967 0.027 1.545) 1.823 16.385 ( 0.213 -0.159 -1.087) 1.119 16.385 ( 0.213 -0.159 1.087) 1.119 20.529 ( 0.535 0.017 -2.838) 2.888 20.529 ( 0.535 0.017 2.838) 2.888 20.580 ( 0.147 -0.101 -1.741) 1.750 20.580 ( 0.147 -0.101 1.741) 1.750 21.064 ( -0.479 0.041 -1.602) 1.672 21.064 ( -0.479 0.041 1.602) 1.672 25.188 ( 0.206 -0.163 -6.125) 6.131 25.188 ( 0.206 -0.163 6.125) 6.131 25.294 ( -2.587 -0.114 -4.309) 5.027 25.294 ( -2.587 -0.114 4.309) 5.027 25.431 ( 4.792 0.436 -6.210) 7.856 25.431 ( 4.792 0.436 6.210) 7.856 27.015 ( -0.329 -0.327 -1.541) 1.609 27.015 ( -0.329 -0.327 1.541) 1.609 27.082 ( -0.090 -0.218 -6.825) 6.829 27.082 ( -0.090 -0.218 6.825) 6.829 27.209 ( 1.967 -0.357 -1.447) 2.467 27.209 ( 1.967 -0.357 1.447) 2.467 27.318 ( -2.043 0.965 -3.189) 3.908 27.318 ( -2.043 0.965 3.189) 3.908 27.449 ( -0.073 4.496 -4.289) 6.214 27.449 ( -0.073 4.496 4.289) 6.214 27.553 ( 0.311 -5.316 -3.194) 6.210 27.553 ( 0.311 -5.316 3.194) 6.210 27.722 ( -1.789 -0.475 -2.734) 3.301 27.722 ( -1.789 -0.475 2.734) 3.301 27.780 ( -1.474 -0.860 -1.859) 2.524 27.780 ( -1.474 -0.860 1.859) 2.524 27.847 ( 1.254 0.529 -1.513) 2.035 27.847 ( 1.254 0.529 1.513) 2.035 27.942 ( 0.935 0.341 -3.374) 3.518 27.942 ( 0.935 0.341 3.374) 3.518 27.994 ( -1.001 3.574 -1.810) 4.129 27.994 ( -1.001 3.574 1.810) 4.129 28.110 ( 0.849 -2.302 -2.652) 3.613 28.110 ( 0.849 -2.302 2.652) 3.613 28.213 ( -2.646 0.766 -2.817) 3.940 28.213 ( -2.646 0.766 2.817) 3.940 28.317 ( -0.608 -1.950 -3.252) 3.840 28.317 ( -0.608 -1.950 3.252) 3.840 28.432 ( -2.776 1.013 -1.636) 3.378 28.432 ( -2.776 1.013 1.636) 3.378 29.996 ( -0.833 -0.621 -17.000) 17.032 29.996 ( -0.833 -0.621 17.000) 17.032 30.271 ( 2.077 0.518 -6.073) 6.440 30.271 ( 2.077 0.518 6.073) 6.440 30.664 ( 3.446 0.022 -4.975) 6.052 30.664 ( 3.446 0.022 4.975) 6.052 ======================= Grid point 116 (24/24) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 22 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( -0.000 -0.000 -5.449) 5.449 1.636 ( -0.000 -0.000 5.449) 5.449 2.042 ( -0.000 -0.000 -1.926) 1.926 2.042 ( -0.000 -0.000 1.926) 1.926 2.070 ( -0.000 -0.000 -7.091) 7.091 2.070 ( -0.000 -0.000 7.091) 7.091 2.254 ( -0.000 -0.000 -8.764) 8.764 2.254 ( -0.000 -0.000 8.764) 8.764 2.425 ( -0.000 -0.000 -9.538) 9.538 2.425 ( 0.000 0.000 9.538) 9.538 2.522 ( -0.000 -0.000 -2.082) 2.082 2.522 ( -0.000 -0.000 2.082) 2.082 2.727 ( -0.000 -0.000 -3.497) 3.497 2.727 ( -0.000 -0.000 3.497) 3.497 2.859 ( -0.000 -0.000 -5.108) 5.108 2.859 ( -0.000 -0.000 5.108) 5.108 2.904 ( -0.000 -0.000 -2.210) 2.210 2.904 ( -0.000 -0.000 2.210) 2.210 3.147 ( -0.000 -0.000 -1.427) 1.427 3.147 ( -0.000 -0.000 1.427) 1.427 3.295 ( -0.000 -0.000 -1.671) 1.671 3.295 ( -0.000 -0.000 1.671) 1.671 3.318 ( -0.000 -0.000 -5.737) 5.737 3.318 ( 0.000 -0.000 5.737) 5.737 3.408 ( -0.000 -0.000 -0.685) 0.685 3.408 ( -0.000 -0.000 0.685) 0.685 3.564 ( 0.000 -0.000 -0.009) 0.009 3.564 ( -0.000 -0.000 0.009) 0.009 3.648 ( -0.000 -0.000 -1.186) 1.186 3.648 ( -0.000 -0.000 1.186) 1.186 3.808 ( -0.000 -0.000 -5.598) 5.598 3.808 ( -0.000 -0.000 5.598) 5.598 3.816 ( 0.000 0.000 -2.671) 2.671 3.816 ( 0.000 0.000 2.671) 2.671 3.924 ( -0.000 -0.000 -3.784) 3.784 3.924 ( -0.000 -0.000 3.784) 3.784 4.031 ( -0.000 -0.000 -3.948) 3.948 4.031 ( -0.000 -0.000 3.948) 3.948 4.042 ( 0.000 0.000 -1.244) 1.244 4.042 ( 0.000 0.000 1.244) 1.244 4.154 ( -0.000 -0.000 -2.118) 2.118 4.154 ( -0.000 0.000 2.118) 2.118 4.183 ( -0.000 -0.000 -3.800) 3.800 4.183 ( -0.000 -0.000 3.800) 3.800 4.227 ( 0.000 -0.000 -3.810) 3.810 4.227 ( 0.000 -0.000 3.810) 3.810 4.438 ( -0.000 0.000 -4.579) 4.579 4.438 ( 0.000 0.000 4.579) 4.579 4.450 ( 0.000 -0.000 -0.274) 0.274 4.450 ( 0.000 -0.000 0.274) 0.274 4.525 ( -0.000 -0.000 -1.379) 1.379 4.525 ( -0.000 -0.000 1.379) 1.379 4.695 ( -0.000 -0.000 -2.743) 2.743 4.695 ( -0.000 -0.000 2.743) 2.743 4.827 ( -0.000 -0.000 -2.429) 2.429 4.827 ( -0.000 -0.000 2.429) 2.429 4.937 ( -0.000 -0.000 -0.774) 0.774 4.937 ( -0.000 -0.000 0.774) 0.774 5.013 ( 0.000 0.000 -1.123) 1.123 5.013 ( 0.000 0.000 1.123) 1.123 5.028 ( -0.000 -0.000 -3.442) 3.442 5.028 ( -0.000 -0.000 3.442) 3.442 5.106 ( -0.000 -0.000 -0.679) 0.679 5.106 ( -0.000 -0.000 0.679) 0.679 5.235 ( -0.000 0.000 -3.667) 3.667 5.235 ( -0.000 0.000 3.667) 3.667 5.242 ( 0.000 -0.000 -1.798) 1.798 5.242 ( -0.000 -0.000 1.798) 1.798 5.384 ( -0.000 -0.000 -1.232) 1.232 5.384 ( -0.000 -0.000 1.232) 1.232 5.546 ( -0.000 -0.000 -1.852) 1.852 5.546 ( -0.000 -0.000 1.852) 1.852 5.570 ( -0.000 -0.000 -0.416) 0.416 5.570 ( 0.000 -0.000 0.416) 0.416 5.818 ( -0.000 -0.000 -3.331) 3.331 5.818 ( -0.000 -0.000 3.331) 3.331 5.869 ( -0.000 -0.000 -0.229) 0.229 5.869 ( -0.000 -0.000 0.229) 0.229 6.038 ( 0.000 0.000 -2.020) 2.020 6.038 ( 0.000 0.000 2.020) 2.020 6.097 ( -0.000 -0.000 -0.007) 0.007 6.097 ( -0.000 -0.000 0.007) 0.007 6.179 ( -0.000 -0.000 -9.891) 9.891 6.179 ( -0.000 -0.000 9.891) 9.891 6.370 ( -0.000 -0.000 -0.036) 0.036 6.370 ( -0.000 -0.000 0.036) 0.036 6.603 ( -0.000 -0.000 -2.796) 2.796 6.603 ( -0.000 -0.000 2.796) 2.796 6.673 ( -0.000 -0.000 -0.114) 0.114 6.673 ( -0.000 -0.000 0.114) 0.114 6.768 ( -0.000 -0.000 -2.842) 2.842 6.768 ( -0.000 -0.000 2.842) 2.842 6.842 ( -0.000 -0.000 -3.279) 3.279 6.842 ( -0.000 -0.000 3.279) 3.279 6.870 ( 0.000 -0.000 -1.820) 1.820 6.870 ( -0.000 -0.000 1.820) 1.820 6.893 ( 0.000 0.000 -0.309) 0.309 6.893 ( -0.000 0.000 0.309) 0.309 7.070 ( -0.000 -0.000 -1.866) 1.866 7.070 ( -0.000 -0.000 1.866) 1.866 7.154 ( -0.000 -0.000 -3.125) 3.125 7.154 ( -0.000 0.000 3.125) 3.125 7.173 ( -0.000 -0.000 -3.759) 3.759 7.173 ( -0.000 -0.000 3.759) 3.759 7.317 ( -0.000 -0.000 -3.256) 3.256 7.317 ( -0.000 -0.000 3.256) 3.256 7.421 ( -0.000 -0.000 -0.149) 0.149 7.421 ( -0.000 -0.000 0.149) 0.149 7.997 ( -0.000 -0.000 -5.426) 5.426 7.997 ( -0.000 -0.000 5.426) 5.426 8.012 ( 0.000 -0.000 -1.324) 1.324 8.012 ( 0.000 -0.000 1.324) 1.324 8.046 ( 0.000 -0.000 -0.799) 0.799 8.046 ( 0.000 -0.000 0.799) 0.799 8.159 ( -0.000 -0.000 -1.293) 1.293 8.159 ( -0.000 -0.000 1.293) 1.293 8.329 ( -0.000 -0.000 -4.285) 4.285 8.329 ( -0.000 -0.000 4.285) 4.285 8.383 ( -0.000 -0.000 -0.173) 0.173 8.383 ( -0.000 -0.000 0.173) 0.173 8.771 ( -0.000 -0.000 -0.710) 0.710 8.771 ( -0.000 -0.000 0.710) 0.710 9.016 ( -0.000 -0.000 -0.251) 0.251 9.016 ( -0.000 -0.000 0.251) 0.251 9.043 ( -0.000 -0.000 -5.412) 5.412 9.043 ( -0.000 -0.000 5.412) 5.412 9.385 ( -0.000 -0.000 -0.098) 0.098 9.385 ( -0.000 -0.000 0.098) 0.098 9.560 ( -0.000 -0.000 -0.929) 0.929 9.560 ( -0.000 -0.000 0.929) 0.929 9.781 ( -0.000 -0.000 -2.373) 2.373 9.781 ( 0.000 -0.000 2.373) 2.373 9.785 ( 0.000 0.000 -3.169) 3.169 9.785 ( -0.000 0.000 3.169) 3.169 9.867 ( -0.000 -0.000 -3.115) 3.115 9.867 ( -0.000 -0.000 3.115) 3.115 9.949 ( -0.000 -0.000 -0.035) 0.035 9.949 ( -0.000 -0.000 0.035) 0.035 10.027 ( -0.000 -0.000 -5.952) 5.952 10.027 ( -0.000 -0.000 5.952) 5.952 10.377 ( -0.000 -0.000 -0.168) 0.168 10.377 ( -0.000 -0.000 0.168) 0.168 10.537 ( -0.000 -0.000 -0.533) 0.533 10.537 ( -0.000 -0.000 0.533) 0.533 11.404 ( -0.000 0.000 -6.240) 6.240 11.404 ( 0.000 0.000 6.240) 6.240 11.408 ( -0.000 -0.000 -1.329) 1.329 11.408 ( -0.000 -0.000 1.329) 1.329 11.558 ( -0.000 -0.000 -1.583) 1.583 11.558 ( -0.000 -0.000 1.583) 1.583 12.959 ( -0.000 -0.000 -0.984) 0.984 12.959 ( -0.000 -0.000 0.984) 0.984 13.133 ( -0.000 -0.000 -14.592) 14.592 13.133 ( -0.000 -0.000 14.592) 14.592 13.177 ( 0.000 -0.000 -1.104) 1.104 13.177 ( 0.000 -0.000 1.104) 1.104 13.422 ( -0.000 -0.000 -0.230) 0.230 13.422 ( -0.000 -0.000 0.230) 0.230 13.657 ( -0.000 -0.000 -0.145) 0.145 13.657 ( -0.000 -0.000 0.145) 0.145 14.190 ( -0.000 -0.000 -5.271) 5.271 14.190 ( -0.000 -0.000 5.271) 5.271 14.408 ( -0.000 -0.000 -0.133) 0.133 14.408 ( -0.000 -0.000 0.133) 0.133 14.523 ( -0.000 -0.000 -7.315) 7.315 14.523 ( -0.000 -0.000 7.315) 7.315 14.715 ( -0.000 -0.000 -3.837) 3.837 14.715 ( -0.000 -0.000 3.837) 3.837 14.854 ( 0.000 -0.000 -5.316) 5.316 14.854 ( -0.000 -0.000 5.316) 5.316 14.895 ( -0.000 -0.000 -1.175) 1.175 14.895 ( -0.000 -0.000 1.175) 1.175 14.943 ( 0.000 -0.000 -17.848) 17.848 14.943 ( -0.000 -0.000 17.848) 17.848 15.444 ( -0.000 -0.000 -4.560) 4.560 15.444 ( -0.000 -0.000 4.560) 4.560 15.469 ( 0.000 -0.000 -0.084) 0.084 15.469 ( 0.000 -0.000 0.084) 0.084 15.540 ( -0.000 -0.000 -0.066) 0.066 15.540 ( -0.000 -0.000 0.066) 0.066 16.255 ( -0.000 -0.000 -6.536) 6.536 16.255 ( -0.000 -0.000 6.536) 6.536 16.294 ( -0.000 -0.000 -1.093) 1.093 16.294 ( -0.000 -0.000 1.093) 1.093 16.382 ( -0.000 -0.000 -0.864) 0.864 16.382 ( -0.000 -0.000 0.864) 0.864 20.524 ( -0.000 -0.000 -2.916) 2.916 20.524 ( -0.000 -0.000 2.916) 2.916 20.578 ( -0.000 -0.000 -0.079) 0.079 20.578 ( -0.000 -0.000 0.079) 0.079 21.069 ( -0.000 -0.000 -0.162) 0.162 21.069 ( -0.000 -0.000 0.162) 0.162 25.184 ( -0.000 -0.000 -8.050) 8.050 25.184 ( -0.000 -0.000 8.050) 8.050 25.331 ( -0.000 -0.000 -3.651) 3.651 25.331 ( -0.000 -0.000 3.651) 3.651 25.377 ( 0.000 0.000 -3.899) 3.899 25.377 ( 0.000 -0.000 3.899) 3.899 27.016 ( -0.000 -0.000 -0.888) 0.888 27.016 ( -0.000 -0.000 0.888) 0.888 27.080 ( -0.000 -0.000 -9.675) 9.675 27.080 ( -0.000 -0.000 9.675) 9.675 27.187 ( -0.000 -0.000 -0.546) 0.546 27.187 ( -0.000 -0.000 0.546) 0.546 27.360 ( -0.000 -0.000 -1.038) 1.038 27.360 ( -0.000 -0.000 1.038) 1.038 27.482 ( 0.000 -0.000 -3.923) 3.923 27.482 ( -0.000 -0.000 3.923) 3.923 27.498 ( -0.000 -0.000 -1.847) 1.847 27.498 ( -0.000 -0.000 1.847) 1.847 27.746 ( -0.000 -0.000 -4.170) 4.170 27.746 ( -0.000 -0.000 4.170) 4.170 27.806 ( 0.000 0.000 -2.115) 2.115 27.806 ( 0.000 -0.000 2.115) 2.115 27.812 ( -0.000 -0.000 -1.375) 1.375 27.812 ( -0.000 -0.000 1.375) 1.375 27.940 ( -0.000 -0.000 -0.122) 0.122 27.940 ( -0.000 -0.000 0.122) 0.122 28.018 ( -0.000 -0.000 -1.498) 1.498 28.018 ( -0.000 -0.000 1.498) 1.498 28.084 ( -0.000 -0.000 -2.867) 2.867 28.084 ( -0.000 -0.000 2.867) 2.867 28.262 ( -0.000 -0.000 -0.411) 0.411 28.262 ( -0.000 -0.000 0.411) 0.411 28.302 ( -0.000 -0.000 -3.285) 3.285 28.302 ( -0.000 -0.000 3.285) 3.285 28.463 ( -0.000 -0.000 -0.075) 0.075 28.463 ( -0.000 -0.000 0.075) 0.075 29.995 ( 0.000 -0.000 -16.580) 16.580 29.995 ( 0.000 -0.000 16.580) 16.580 30.259 ( 0.000 -0.000 -0.157) 0.157 30.259 ( 0.000 -0.000 0.157) 0.157 30.629 ( 0.000 0.000 -0.167) 0.167 30.629 ( 0.000 0.000 0.167) 0.167 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/33696 10.0 386.794 386.794 571.585 0.000 0.000 0.000 3/33696 20.0 40.032 40.032 51.333 0.000 0.000 0.000 3/33696 30.0 13.552 13.552 16.224 0.000 0.000 0.000 3/33696 40.0 7.109 7.109 8.161 0.000 0.000 0.000 3/33696 50.0 4.596 4.596 5.154 0.000 0.000 0.000 3/33696 60.0 3.345 3.345 3.699 0.000 0.000 0.000 3/33696 70.0 2.619 2.619 2.871 0.000 0.000 0.000 3/33696 80.0 2.152 2.152 2.347 0.000 0.000 0.000 3/33696 90.0 1.828 1.828 1.989 0.000 0.000 0.000 3/33696 100.0 1.591 1.591 1.732 0.000 0.000 0.000 3/33696 110.0 1.410 1.410 1.538 0.000 0.000 0.000 3/33696 120.0 1.267 1.267 1.388 0.000 0.000 0.000 3/33696 130.0 1.152 1.152 1.269 0.000 0.000 0.000 3/33696 140.0 1.057 1.057 1.171 0.000 0.000 0.000 3/33696 150.0 0.977 0.977 1.090 0.000 0.000 0.000 3/33696 160.0 0.909 0.909 1.022 0.000 0.000 0.000 3/33696 170.0 0.850 0.850 0.963 0.000 0.000 0.000 3/33696 180.0 0.799 0.799 0.912 0.000 0.000 0.000 3/33696 190.0 0.754 0.754 0.867 0.000 0.000 0.000 3/33696 200.0 0.714 0.714 0.827 0.000 0.000 0.000 3/33696 210.0 0.678 0.678 0.791 0.000 0.000 0.000 3/33696 220.0 0.646 0.646 0.759 0.000 0.000 0.000 3/33696 230.0 0.617 0.617 0.729 0.000 0.000 0.000 3/33696 240.0 0.590 0.590 0.702 0.000 0.000 0.000 3/33696 250.0 0.566 0.566 0.678 0.000 0.000 0.000 3/33696 260.0 0.544 0.544 0.655 0.000 0.000 0.000 3/33696 270.0 0.524 0.524 0.634 0.000 0.000 0.000 3/33696 280.0 0.505 0.505 0.614 0.000 0.000 0.000 3/33696 290.0 0.488 0.488 0.596 0.000 0.000 0.000 3/33696 300.0 0.471 0.471 0.579 0.000 0.000 0.000 3/33696 310.0 0.456 0.456 0.563 0.000 0.000 0.000 3/33696 320.0 0.442 0.442 0.548 0.000 0.000 0.000 3/33696 330.0 0.429 0.429 0.534 0.000 0.000 0.000 3/33696 340.0 0.417 0.417 0.520 0.000 0.000 0.000 3/33696 350.0 0.405 0.405 0.507 0.000 0.000 0.000 3/33696 360.0 0.394 0.394 0.495 0.000 0.000 0.000 3/33696 370.0 0.383 0.383 0.484 0.000 0.000 0.000 3/33696 380.0 0.374 0.374 0.473 0.000 0.000 0.000 3/33696 390.0 0.364 0.364 0.462 0.000 0.000 0.000 3/33696 400.0 0.355 0.355 0.452 0.000 0.000 0.000 3/33696 410.0 0.347 0.347 0.443 0.000 0.000 0.000 3/33696 420.0 0.339 0.339 0.433 0.000 0.000 0.000 3/33696 430.0 0.331 0.331 0.425 0.000 0.000 0.000 3/33696 440.0 0.324 0.324 0.416 0.000 0.000 0.000 3/33696 450.0 0.317 0.317 0.408 0.000 0.000 0.000 3/33696 460.0 0.310 0.310 0.400 0.000 0.000 0.000 3/33696 470.0 0.304 0.304 0.393 0.000 0.000 0.000 3/33696 480.0 0.298 0.298 0.386 0.000 0.000 0.000 3/33696 490.0 0.292 0.292 0.379 0.000 0.000 0.000 3/33696 500.0 0.286 0.286 0.372 0.000 0.000 0.000 3/33696 510.0 0.281 0.281 0.366 0.000 0.000 0.000 3/33696 520.0 0.275 0.275 0.359 0.000 0.000 0.000 3/33696 530.0 0.270 0.270 0.353 0.000 0.000 0.000 3/33696 540.0 0.266 0.266 0.347 0.000 0.000 0.000 3/33696 550.0 0.261 0.261 0.342 0.000 0.000 0.000 3/33696 560.0 0.256 0.256 0.336 0.000 0.000 0.000 3/33696 570.0 0.252 0.252 0.331 0.000 0.000 0.000 3/33696 580.0 0.248 0.248 0.326 0.000 0.000 0.000 3/33696 590.0 0.244 0.244 0.321 0.000 0.000 0.000 3/33696 600.0 0.240 0.240 0.316 0.000 0.000 0.000 3/33696 610.0 0.236 0.236 0.311 0.000 0.000 0.000 3/33696 620.0 0.232 0.232 0.307 0.000 0.000 0.000 3/33696 630.0 0.229 0.229 0.302 0.000 0.000 0.000 3/33696 640.0 0.225 0.225 0.298 0.000 0.000 0.000 3/33696 650.0 0.222 0.222 0.294 0.000 0.000 0.000 3/33696 660.0 0.218 0.218 0.290 0.000 0.000 0.000 3/33696 670.0 0.215 0.215 0.286 0.000 0.000 0.000 3/33696 680.0 0.212 0.212 0.282 0.000 0.000 0.000 3/33696 690.0 0.209 0.209 0.278 0.000 0.000 0.000 3/33696 700.0 0.206 0.206 0.274 0.000 0.000 0.000 3/33696 710.0 0.203 0.203 0.271 0.000 0.000 0.000 3/33696 720.0 0.201 0.201 0.267 0.000 0.000 0.000 3/33696 730.0 0.198 0.198 0.264 0.000 0.000 0.000 3/33696 740.0 0.195 0.195 0.261 0.000 0.000 0.000 3/33696 750.0 0.193 0.193 0.257 0.000 0.000 0.000 3/33696 760.0 0.190 0.190 0.254 0.000 0.000 0.000 3/33696 770.0 0.188 0.188 0.251 0.000 0.000 0.000 3/33696 780.0 0.186 0.186 0.248 0.000 0.000 0.000 3/33696 790.0 0.183 0.183 0.245 0.000 0.000 0.000 3/33696 800.0 0.181 0.181 0.242 0.000 0.000 0.000 3/33696 810.0 0.179 0.179 0.240 0.000 0.000 0.000 3/33696 820.0 0.177 0.177 0.237 0.000 0.000 0.000 3/33696 830.0 0.175 0.175 0.234 0.000 0.000 0.000 3/33696 840.0 0.173 0.173 0.232 0.000 0.000 0.000 3/33696 850.0 0.171 0.171 0.229 0.000 0.000 0.000 3/33696 860.0 0.169 0.169 0.226 0.000 0.000 0.000 3/33696 870.0 0.167 0.167 0.224 0.000 0.000 0.000 3/33696 880.0 0.165 0.165 0.222 0.000 0.000 0.000 3/33696 890.0 0.163 0.163 0.219 0.000 0.000 0.000 3/33696 900.0 0.161 0.161 0.217 0.000 0.000 0.000 3/33696 910.0 0.160 0.160 0.215 0.000 0.000 0.000 3/33696 920.0 0.158 0.158 0.212 0.000 0.000 0.000 3/33696 930.0 0.156 0.156 0.210 0.000 0.000 0.000 3/33696 940.0 0.155 0.155 0.208 0.000 0.000 0.000 3/33696 950.0 0.153 0.153 0.206 0.000 0.000 0.000 3/33696 960.0 0.151 0.151 0.204 0.000 0.000 0.000 3/33696 970.0 0.150 0.150 0.202 0.000 0.000 0.000 3/33696 980.0 0.148 0.148 0.200 0.000 0.000 0.000 3/33696 990.0 0.147 0.147 0.198 0.000 0.000 0.000 3/33696 1000.0 0.145 0.145 0.196 0.000 0.000 0.000 3/33696 Thermal conductivity related properties were written into "kappa-m664.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:21:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|